USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 ASN : amide:sc= -0.304 K(o=-0.34,f=-2.2) USER MOD Set 1.2: A 96 MET CE :methyl -161:sc= -0.0328 (180deg=-0.235) USER MOD Set 2.1: A 71 GLN : amide:sc= -0.956 K(o=-0.96,f=-2.3!) USER MOD Set 2.2: A 75 ASN : amide:sc= 0 K(o=-0.96,f=-2.2) USER MOD Set 3.1: A 41 SER OG : rot 53:sc= 1.4 USER MOD Set 3.2: A 102 CYS SG : rot -19:sc= 0.158 USER MOD Single : A 19 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.046) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.059 X(o=-0.059,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 30:sc= 0.842 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 MET CE :methyl -128:sc= 0 (180deg=-0.761) USER MOD Single : A 60 MET CE :methyl -130:sc= -2.43 (180deg=-5.37!) USER MOD Single : A 61 HIS : no HD1:sc=-0.000356 X(o=-0.00036,f=-0.00036) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 63 TYR OH : rot 180:sc= -1.46 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 72 LYS NZ :NH3+ -123:sc= 0 (180deg=-1.09) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc=-0.00693 X(o=-0.0069,f=-0.0069) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 GLN : amide:sc= -0.0128 X(o=-0.013,f=-0.34) USER MOD Single : A 116 GLN : amide:sc= -0.0237 K(o=-0.024,f=-1.6) USER MOD Single : A 122 GLN : amide:sc= -0.0201 K(o=-0.02,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 220 N GLN A 19 9.211 14.390 1.497 1.00 0.00 N ATOM 221 CA GLN A 19 9.866 13.131 1.830 1.00 0.00 C ATOM 222 C GLN A 19 8.961 11.946 1.509 1.00 0.00 C ATOM 223 O GLN A 19 9.415 10.931 0.978 1.00 0.00 O ATOM 224 CB GLN A 19 10.250 13.107 3.310 1.00 0.00 C ATOM 225 CG GLN A 19 11.257 14.179 3.694 1.00 0.00 C ATOM 226 CD GLN A 19 12.616 13.958 3.059 1.00 0.00 C ATOM 227 OE1 GLN A 19 13.419 13.161 3.546 1.00 0.00 O ATOM 228 NE2 GLN A 19 12.881 14.665 1.967 1.00 0.00 N ATOM 0 HA GLN A 19 10.770 13.050 1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.350 13.233 3.912 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.663 12.128 3.554 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.875 15.155 3.395 1.00 0.00 H new ATOM 0 HG3 GLN A 19 11.366 14.198 4.778 1.00 0.00 H new ATOM 0 HE21 GLN A 19 12.186 15.314 1.598 1.00 0.00 H new ATOM 0 HE22 GLN A 19 13.780 14.559 1.497 1.00 0.00 H new ATOM 237 N LEU A 20 7.680 12.081 1.833 1.00 0.00 N ATOM 238 CA LEU A 20 6.711 11.020 1.579 1.00 0.00 C ATOM 239 C LEU A 20 6.457 10.861 0.084 1.00 0.00 C ATOM 240 O LEU A 20 6.324 9.745 -0.419 1.00 0.00 O ATOM 241 CB LEU A 20 5.396 11.320 2.302 1.00 0.00 C ATOM 242 CG LEU A 20 4.170 10.550 1.812 1.00 0.00 C ATOM 243 CD1 LEU A 20 4.116 9.170 2.450 1.00 0.00 C ATOM 244 CD2 LEU A 20 2.897 11.328 2.112 1.00 0.00 C ATOM 0 H LEU A 20 7.288 12.914 2.272 1.00 0.00 H new ATOM 0 HA LEU A 20 7.124 10.086 1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.532 11.110 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.190 12.387 2.212 1.00 0.00 H new ATOM 0 HG LEU A 20 4.251 10.426 0.732 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.237 8.637 2.089 1.00 0.00 H new ATOM 0 HD12 LEU A 20 5.013 8.611 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.059 9.272 3.534 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.034 10.765 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.811 11.484 3.187 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.933 12.294 1.607 1.00 0.00 H new ATOM 256 N TYR A 21 6.392 11.984 -0.623 1.00 0.00 N ATOM 257 CA TYR A 21 6.154 11.970 -2.061 1.00 0.00 C ATOM 258 C TYR A 21 7.320 11.322 -2.800 1.00 0.00 C ATOM 259 O TYR A 21 7.130 10.420 -3.616 1.00 0.00 O ATOM 260 CB TYR A 21 5.935 13.393 -2.577 1.00 0.00 C ATOM 261 CG TYR A 21 4.620 14.000 -2.144 1.00 0.00 C ATOM 262 CD1 TYR A 21 3.442 13.264 -2.196 1.00 0.00 C ATOM 263 CD2 TYR A 21 4.555 15.308 -1.681 1.00 0.00 C ATOM 264 CE1 TYR A 21 2.239 13.815 -1.801 1.00 0.00 C ATOM 265 CE2 TYR A 21 3.356 15.867 -1.283 1.00 0.00 C ATOM 266 CZ TYR A 21 2.200 15.116 -1.345 1.00 0.00 C ATOM 267 OH TYR A 21 1.003 15.668 -0.950 1.00 0.00 O ATOM 0 H TYR A 21 6.501 12.916 -0.223 1.00 0.00 H new ATOM 0 HA TYR A 21 5.256 11.381 -2.249 1.00 0.00 H new ATOM 0 HB2 TYR A 21 6.750 14.026 -2.227 1.00 0.00 H new ATOM 0 HB3 TYR A 21 5.981 13.386 -3.666 1.00 0.00 H new ATOM 0 HD1 TYR A 21 3.468 12.244 -2.551 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.458 15.899 -1.631 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.333 13.230 -1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 21 3.324 16.886 -0.926 1.00 0.00 H new ATOM 0 HH TYR A 21 1.150 16.591 -0.655 1.00 0.00 H new ATOM 277 N LEU A 22 8.529 11.789 -2.508 1.00 0.00 N ATOM 278 CA LEU A 22 9.730 11.256 -3.143 1.00 0.00 C ATOM 279 C LEU A 22 9.805 9.741 -2.979 1.00 0.00 C ATOM 280 O LEU A 22 9.977 9.009 -3.954 1.00 0.00 O ATOM 281 CB LEU A 22 10.978 11.908 -2.547 1.00 0.00 C ATOM 282 CG LEU A 22 11.043 13.433 -2.629 1.00 0.00 C ATOM 283 CD1 LEU A 22 11.911 13.992 -1.512 1.00 0.00 C ATOM 284 CD2 LEU A 22 11.570 13.873 -3.987 1.00 0.00 C ATOM 0 H LEU A 22 8.704 12.536 -1.836 1.00 0.00 H new ATOM 0 HA LEU A 22 9.682 11.486 -4.207 1.00 0.00 H new ATOM 0 HB2 LEU A 22 11.050 11.617 -1.499 1.00 0.00 H new ATOM 0 HB3 LEU A 22 11.853 11.499 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 22 10.034 13.827 -2.508 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.945 15.079 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 22 11.490 13.708 -0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.920 13.590 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.609 14.962 -4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 12.571 13.468 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 22 10.908 13.505 -4.771 1.00 0.00 H new ATOM 296 N TRP A 23 9.674 9.278 -1.741 1.00 0.00 N ATOM 297 CA TRP A 23 9.726 7.850 -1.450 1.00 0.00 C ATOM 298 C TRP A 23 8.986 7.050 -2.516 1.00 0.00 C ATOM 299 O TRP A 23 9.482 6.031 -2.997 1.00 0.00 O ATOM 300 CB TRP A 23 9.123 7.567 -0.073 1.00 0.00 C ATOM 301 CG TRP A 23 8.565 6.182 0.058 1.00 0.00 C ATOM 302 CD1 TRP A 23 9.255 5.008 -0.044 1.00 0.00 C ATOM 303 CD2 TRP A 23 7.202 5.828 0.314 1.00 0.00 C ATOM 304 NE1 TRP A 23 8.402 3.945 0.133 1.00 0.00 N ATOM 305 CE2 TRP A 23 7.137 4.422 0.355 1.00 0.00 C ATOM 306 CE3 TRP A 23 6.029 6.562 0.514 1.00 0.00 C ATOM 307 CZ2 TRP A 23 5.947 3.738 0.586 1.00 0.00 C ATOM 308 CZ3 TRP A 23 4.849 5.882 0.743 1.00 0.00 C ATOM 309 CH2 TRP A 23 4.814 4.481 0.778 1.00 0.00 C ATOM 0 H TRP A 23 9.531 9.870 -0.923 1.00 0.00 H new ATOM 0 HA TRP A 23 10.772 7.542 -1.452 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.889 7.716 0.688 1.00 0.00 H new ATOM 0 HB3 TRP A 23 8.332 8.290 0.125 1.00 0.00 H new ATOM 0 HD1 TRP A 23 10.315 4.927 -0.236 1.00 0.00 H new ATOM 0 HE1 TRP A 23 8.668 2.961 0.104 1.00 0.00 H new ATOM 0 HE3 TRP A 23 6.045 7.642 0.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 5.919 2.659 0.613 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 3.937 6.439 0.898 1.00 0.00 H new ATOM 0 HH2 TRP A 23 3.875 3.979 0.960 1.00 0.00 H new ATOM 320 N VAL A 24 7.797 7.518 -2.883 1.00 0.00 N ATOM 321 CA VAL A 24 6.990 6.846 -3.894 1.00 0.00 C ATOM 322 C VAL A 24 7.481 7.179 -5.299 1.00 0.00 C ATOM 323 O VAL A 24 7.698 6.287 -6.119 1.00 0.00 O ATOM 324 CB VAL A 24 5.504 7.235 -3.776 1.00 0.00 C ATOM 325 CG1 VAL A 24 4.678 6.516 -4.832 1.00 0.00 C ATOM 326 CG2 VAL A 24 4.984 6.928 -2.380 1.00 0.00 C ATOM 0 H VAL A 24 7.372 8.360 -2.495 1.00 0.00 H new ATOM 0 HA VAL A 24 7.092 5.775 -3.720 1.00 0.00 H new ATOM 0 HB VAL A 24 5.412 8.308 -3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.631 6.803 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.037 6.790 -5.824 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.773 5.439 -4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.933 7.209 -2.313 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.088 5.862 -2.179 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.558 7.493 -1.646 1.00 0.00 H new ATOM 336 N ASP A 25 7.653 8.468 -5.569 1.00 0.00 N ATOM 337 CA ASP A 25 8.119 8.919 -6.875 1.00 0.00 C ATOM 338 C ASP A 25 9.242 8.024 -7.391 1.00 0.00 C ATOM 339 O ASP A 25 9.277 7.672 -8.569 1.00 0.00 O ATOM 340 CB ASP A 25 8.602 10.369 -6.795 1.00 0.00 C ATOM 341 CG ASP A 25 7.540 11.303 -6.251 1.00 0.00 C ATOM 342 OD1 ASP A 25 6.342 11.044 -6.490 1.00 0.00 O ATOM 343 OD2 ASP A 25 7.907 12.294 -5.585 1.00 0.00 O ATOM 0 H ASP A 25 7.477 9.219 -4.901 1.00 0.00 H new ATOM 0 HA ASP A 25 7.283 8.860 -7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 25 9.486 10.420 -6.160 1.00 0.00 H new ATOM 0 HB3 ASP A 25 8.903 10.704 -7.788 1.00 0.00 H new ATOM 348 N ASN A 26 10.158 7.660 -6.499 1.00 0.00 N ATOM 349 CA ASN A 26 11.283 6.807 -6.864 1.00 0.00 C ATOM 350 C ASN A 26 10.798 5.445 -7.349 1.00 0.00 C ATOM 351 O ASN A 26 11.232 4.955 -8.392 1.00 0.00 O ATOM 352 CB ASN A 26 12.225 6.631 -5.671 1.00 0.00 C ATOM 353 CG ASN A 26 13.214 5.500 -5.878 1.00 0.00 C ATOM 354 OD1 ASN A 26 14.261 5.682 -6.500 1.00 0.00 O ATOM 355 ND2 ASN A 26 12.886 4.325 -5.354 1.00 0.00 N ATOM 0 H ASN A 26 10.143 7.942 -5.519 1.00 0.00 H new ATOM 0 HA ASN A 26 11.824 7.290 -7.677 1.00 0.00 H new ATOM 0 HB2 ASN A 26 12.770 7.560 -5.501 1.00 0.00 H new ATOM 0 HB3 ASN A 26 11.638 6.437 -4.773 1.00 0.00 H new ATOM 0 HD21 ASN A 26 13.512 3.527 -5.459 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.008 4.220 -4.846 1.00 0.00 H new ATOM 362 N ILE A 27 9.895 4.838 -6.585 1.00 0.00 N ATOM 363 CA ILE A 27 9.350 3.533 -6.938 1.00 0.00 C ATOM 364 C ILE A 27 8.551 3.604 -8.235 1.00 0.00 C ATOM 365 O ILE A 27 7.633 4.411 -8.385 1.00 0.00 O ATOM 366 CB ILE A 27 8.446 2.981 -5.820 1.00 0.00 C ATOM 367 CG1 ILE A 27 9.266 2.710 -4.558 1.00 0.00 C ATOM 368 CG2 ILE A 27 7.744 1.713 -6.285 1.00 0.00 C ATOM 369 CD1 ILE A 27 8.420 2.483 -3.324 1.00 0.00 C ATOM 0 H ILE A 27 9.526 5.229 -5.718 1.00 0.00 H new ATOM 0 HA ILE A 27 10.198 2.862 -7.073 1.00 0.00 H new ATOM 0 HB ILE A 27 7.688 3.728 -5.584 1.00 0.00 H new ATOM 0 HG12 ILE A 27 9.894 1.835 -4.724 1.00 0.00 H new ATOM 0 HG13 ILE A 27 9.934 3.553 -4.381 1.00 0.00 H new ATOM 0 HG21 ILE A 27 7.109 1.334 -5.484 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.132 1.936 -7.159 1.00 0.00 H new ATOM 0 HG23 ILE A 27 8.488 0.960 -6.545 1.00 0.00 H new ATOM 0 HD11 ILE A 27 9.068 2.297 -2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 27 7.811 3.366 -3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 27 7.771 1.622 -3.481 1.00 0.00 H new ATOM 577 N ASP A 39 -5.467 9.154 -7.224 1.00 0.00 N ATOM 578 CA ASP A 39 -4.506 8.135 -7.631 1.00 0.00 C ATOM 579 C ASP A 39 -4.266 7.133 -6.506 1.00 0.00 C ATOM 580 O ASP A 39 -4.209 5.925 -6.737 1.00 0.00 O ATOM 581 CB ASP A 39 -3.184 8.785 -8.041 1.00 0.00 C ATOM 582 CG ASP A 39 -2.277 7.830 -8.792 1.00 0.00 C ATOM 583 OD1 ASP A 39 -2.414 6.604 -8.596 1.00 0.00 O ATOM 584 OD2 ASP A 39 -1.432 8.309 -9.577 1.00 0.00 O ATOM 0 HA ASP A 39 -4.921 7.601 -8.486 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -3.388 9.654 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -2.669 9.146 -7.151 1.00 0.00 H new ATOM 589 N PHE A 40 -4.125 7.643 -5.286 1.00 0.00 N ATOM 590 CA PHE A 40 -3.889 6.793 -4.125 1.00 0.00 C ATOM 591 C PHE A 40 -5.207 6.284 -3.547 1.00 0.00 C ATOM 592 O PHE A 40 -5.281 5.167 -3.034 1.00 0.00 O ATOM 593 CB PHE A 40 -3.113 7.562 -3.054 1.00 0.00 C ATOM 594 CG PHE A 40 -1.622 7.459 -3.204 1.00 0.00 C ATOM 595 CD1 PHE A 40 -0.929 6.392 -2.655 1.00 0.00 C ATOM 596 CD2 PHE A 40 -0.914 8.430 -3.894 1.00 0.00 C ATOM 597 CE1 PHE A 40 0.443 6.294 -2.792 1.00 0.00 C ATOM 598 CE2 PHE A 40 0.458 8.337 -4.034 1.00 0.00 C ATOM 599 CZ PHE A 40 1.137 7.268 -3.482 1.00 0.00 C ATOM 0 H PHE A 40 -4.170 8.640 -5.076 1.00 0.00 H new ATOM 0 HA PHE A 40 -3.298 5.935 -4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -3.402 8.612 -3.091 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.398 7.187 -2.071 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -1.467 5.628 -2.114 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -1.440 9.268 -4.327 1.00 0.00 H new ATOM 0 HE1 PHE A 40 0.971 5.457 -2.360 1.00 0.00 H new ATOM 0 HE2 PHE A 40 0.999 9.100 -4.575 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.209 7.194 -3.590 1.00 0.00 H new ATOM 609 N SER A 41 -6.243 7.111 -3.635 1.00 0.00 N ATOM 610 CA SER A 41 -7.557 6.747 -3.117 1.00 0.00 C ATOM 611 C SER A 41 -7.887 5.294 -3.445 1.00 0.00 C ATOM 612 O SER A 41 -8.553 4.607 -2.670 1.00 0.00 O ATOM 613 CB SER A 41 -8.631 7.669 -3.698 1.00 0.00 C ATOM 614 OG SER A 41 -9.931 7.178 -3.420 1.00 0.00 O ATOM 0 H SER A 41 -6.199 8.037 -4.060 1.00 0.00 H new ATOM 0 HA SER A 41 -7.537 6.861 -2.033 1.00 0.00 H new ATOM 0 HB2 SER A 41 -8.520 8.670 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 41 -8.495 7.757 -4.776 1.00 0.00 H new ATOM 0 HG SER A 41 -10.018 7.009 -2.459 1.00 0.00 H new ATOM 620 N ASP A 42 -7.416 4.833 -4.599 1.00 0.00 N ATOM 621 CA ASP A 42 -7.659 3.462 -5.030 1.00 0.00 C ATOM 622 C ASP A 42 -6.641 2.509 -4.412 1.00 0.00 C ATOM 623 O ASP A 42 -5.434 2.682 -4.577 1.00 0.00 O ATOM 624 CB ASP A 42 -7.604 3.367 -6.556 1.00 0.00 C ATOM 625 CG ASP A 42 -6.420 4.113 -7.140 1.00 0.00 C ATOM 626 OD1 ASP A 42 -5.270 3.720 -6.852 1.00 0.00 O ATOM 627 OD2 ASP A 42 -6.644 5.090 -7.885 1.00 0.00 O ATOM 0 H ASP A 42 -6.864 5.389 -5.252 1.00 0.00 H new ATOM 0 HA ASP A 42 -8.654 3.172 -4.691 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -7.550 2.319 -6.850 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -8.526 3.769 -6.976 1.00 0.00 H new ATOM 632 N GLY A 43 -7.136 1.503 -3.698 1.00 0.00 N ATOM 633 CA GLY A 43 -6.256 0.538 -3.065 1.00 0.00 C ATOM 634 C GLY A 43 -5.544 -0.344 -4.070 1.00 0.00 C ATOM 635 O GLY A 43 -4.501 -0.926 -3.769 1.00 0.00 O ATOM 0 H GLY A 43 -8.131 1.339 -3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -5.517 1.066 -2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.836 -0.086 -2.385 1.00 0.00 H new ATOM 639 N VAL A 44 -6.108 -0.447 -5.270 1.00 0.00 N ATOM 640 CA VAL A 44 -5.520 -1.266 -6.324 1.00 0.00 C ATOM 641 C VAL A 44 -4.068 -0.877 -6.577 1.00 0.00 C ATOM 642 O VAL A 44 -3.304 -1.640 -7.169 1.00 0.00 O ATOM 643 CB VAL A 44 -6.311 -1.139 -7.639 1.00 0.00 C ATOM 644 CG1 VAL A 44 -5.489 -1.658 -8.809 1.00 0.00 C ATOM 645 CG2 VAL A 44 -7.636 -1.880 -7.538 1.00 0.00 C ATOM 0 H VAL A 44 -6.971 0.027 -5.536 1.00 0.00 H new ATOM 0 HA VAL A 44 -5.561 -2.300 -5.982 1.00 0.00 H new ATOM 0 HB VAL A 44 -6.523 -0.084 -7.814 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.064 -1.560 -9.730 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.569 -1.079 -8.893 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.244 -2.707 -8.644 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -8.182 -1.779 -8.476 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -7.449 -2.935 -7.339 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -8.228 -1.457 -6.727 1.00 0.00 H new ATOM 655 N LEU A 45 -3.693 0.314 -6.124 1.00 0.00 N ATOM 656 CA LEU A 45 -2.331 0.806 -6.300 1.00 0.00 C ATOM 657 C LEU A 45 -1.512 0.610 -5.028 1.00 0.00 C ATOM 658 O LEU A 45 -0.391 0.105 -5.070 1.00 0.00 O ATOM 659 CB LEU A 45 -2.347 2.286 -6.687 1.00 0.00 C ATOM 660 CG LEU A 45 -1.002 3.009 -6.631 1.00 0.00 C ATOM 661 CD1 LEU A 45 -0.098 2.545 -7.763 1.00 0.00 C ATOM 662 CD2 LEU A 45 -1.204 4.516 -6.691 1.00 0.00 C ATOM 0 H LEU A 45 -4.313 0.957 -5.632 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.866 0.233 -7.102 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.741 2.372 -7.700 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.044 2.805 -6.029 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.519 2.764 -5.685 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.855 3.071 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.074 1.472 -7.675 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.574 2.759 -8.720 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.236 5.015 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.708 4.779 -7.621 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.813 4.835 -5.845 1.00 0.00 H new ATOM 674 N VAL A 46 -2.082 1.013 -3.896 1.00 0.00 N ATOM 675 CA VAL A 46 -1.407 0.879 -2.611 1.00 0.00 C ATOM 676 C VAL A 46 -0.776 -0.501 -2.462 1.00 0.00 C ATOM 677 O VAL A 46 0.315 -0.639 -1.910 1.00 0.00 O ATOM 678 CB VAL A 46 -2.379 1.115 -1.439 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.661 0.951 -0.108 1.00 0.00 C ATOM 680 CG2 VAL A 46 -3.014 2.494 -1.545 1.00 0.00 C ATOM 0 H VAL A 46 -3.009 1.435 -3.843 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.625 1.638 -2.584 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.172 0.369 -1.491 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.364 1.121 0.708 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.257 -0.059 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.847 1.673 -0.042 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.698 2.645 -0.710 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.235 3.256 -1.519 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.564 2.570 -2.483 1.00 0.00 H new ATOM 690 N ALA A 47 -1.469 -1.519 -2.960 1.00 0.00 N ATOM 691 CA ALA A 47 -0.976 -2.889 -2.886 1.00 0.00 C ATOM 692 C ALA A 47 0.328 -3.046 -3.662 1.00 0.00 C ATOM 693 O ALA A 47 1.275 -3.667 -3.181 1.00 0.00 O ATOM 694 CB ALA A 47 -2.025 -3.858 -3.411 1.00 0.00 C ATOM 0 H ALA A 47 -2.374 -1.421 -3.420 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.776 -3.120 -1.840 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -1.642 -4.877 -3.349 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.931 -3.774 -2.811 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -2.254 -3.619 -4.449 1.00 0.00 H new ATOM 700 N GLU A 48 0.367 -2.479 -4.863 1.00 0.00 N ATOM 701 CA GLU A 48 1.555 -2.558 -5.706 1.00 0.00 C ATOM 702 C GLU A 48 2.798 -2.119 -4.937 1.00 0.00 C ATOM 703 O GLU A 48 3.812 -2.816 -4.924 1.00 0.00 O ATOM 704 CB GLU A 48 1.381 -1.690 -6.954 1.00 0.00 C ATOM 705 CG GLU A 48 0.108 -1.987 -7.729 1.00 0.00 C ATOM 706 CD GLU A 48 0.046 -1.249 -9.052 1.00 0.00 C ATOM 707 OE1 GLU A 48 -0.448 -0.103 -9.070 1.00 0.00 O ATOM 708 OE2 GLU A 48 0.492 -1.819 -10.070 1.00 0.00 O ATOM 0 H GLU A 48 -0.409 -1.960 -5.274 1.00 0.00 H new ATOM 0 HA GLU A 48 1.685 -3.597 -6.010 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.381 -0.641 -6.659 1.00 0.00 H new ATOM 0 HB3 GLU A 48 2.239 -1.836 -7.611 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.040 -3.059 -7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.755 -1.712 -7.123 1.00 0.00 H new ATOM 715 N VAL A 49 2.710 -0.957 -4.296 1.00 0.00 N ATOM 716 CA VAL A 49 3.826 -0.424 -3.524 1.00 0.00 C ATOM 717 C VAL A 49 4.454 -1.503 -2.649 1.00 0.00 C ATOM 718 O VAL A 49 5.677 -1.638 -2.593 1.00 0.00 O ATOM 719 CB VAL A 49 3.382 0.751 -2.633 1.00 0.00 C ATOM 720 CG1 VAL A 49 4.531 1.218 -1.752 1.00 0.00 C ATOM 721 CG2 VAL A 49 2.853 1.895 -3.485 1.00 0.00 C ATOM 0 H VAL A 49 1.878 -0.367 -4.296 1.00 0.00 H new ATOM 0 HA VAL A 49 4.565 -0.067 -4.241 1.00 0.00 H new ATOM 0 HB VAL A 49 2.576 0.408 -1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.198 2.049 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.859 0.396 -1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.361 1.544 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.544 2.717 -2.839 1.00 0.00 H new ATOM 0 HG22 VAL A 49 3.637 2.239 -4.160 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.999 1.550 -4.067 1.00 0.00 H new ATOM 731 N ILE A 50 3.609 -2.268 -1.966 1.00 0.00 N ATOM 732 CA ILE A 50 4.081 -3.337 -1.094 1.00 0.00 C ATOM 733 C ILE A 50 4.865 -4.382 -1.880 1.00 0.00 C ATOM 734 O ILE A 50 5.838 -4.949 -1.383 1.00 0.00 O ATOM 735 CB ILE A 50 2.912 -4.027 -0.367 1.00 0.00 C ATOM 736 CG1 ILE A 50 2.055 -2.992 0.364 1.00 0.00 C ATOM 737 CG2 ILE A 50 3.438 -5.071 0.608 1.00 0.00 C ATOM 738 CD1 ILE A 50 0.753 -3.551 0.893 1.00 0.00 C ATOM 0 H ILE A 50 2.595 -2.168 -2.000 1.00 0.00 H new ATOM 0 HA ILE A 50 4.736 -2.876 -0.355 1.00 0.00 H new ATOM 0 HB ILE A 50 2.289 -4.529 -1.107 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.628 -2.579 1.194 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.838 -2.167 -0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.600 -5.550 1.115 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.011 -5.822 0.063 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.080 -4.589 1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.197 -2.762 1.399 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.160 -3.938 0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.962 -4.356 1.597 1.00 0.00 H new ATOM 750 N LYS A 51 4.435 -4.632 -3.113 1.00 0.00 N ATOM 751 CA LYS A 51 5.098 -5.607 -3.971 1.00 0.00 C ATOM 752 C LYS A 51 6.612 -5.427 -3.932 1.00 0.00 C ATOM 753 O LYS A 51 7.350 -6.362 -3.621 1.00 0.00 O ATOM 754 CB LYS A 51 4.595 -5.475 -5.410 1.00 0.00 C ATOM 755 CG LYS A 51 4.819 -6.721 -6.250 1.00 0.00 C ATOM 756 CD LYS A 51 3.680 -7.713 -6.091 1.00 0.00 C ATOM 757 CE LYS A 51 4.103 -9.117 -6.494 1.00 0.00 C ATOM 758 NZ LYS A 51 4.066 -9.305 -7.971 1.00 0.00 N ATOM 0 H LYS A 51 3.630 -4.173 -3.540 1.00 0.00 H new ATOM 0 HA LYS A 51 4.859 -6.603 -3.598 1.00 0.00 H new ATOM 0 HB2 LYS A 51 3.530 -5.245 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.096 -4.632 -5.885 1.00 0.00 H new ATOM 0 HG2 LYS A 51 4.915 -6.441 -7.299 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.757 -7.193 -5.959 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.342 -7.717 -5.055 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.834 -7.398 -6.701 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.111 -9.312 -6.128 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.446 -9.845 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.361 -10.274 -8.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.099 -9.144 -8.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.713 -8.628 -8.423 1.00 0.00 H new ATOM 772 N PHE A 52 7.068 -4.219 -4.247 1.00 0.00 N ATOM 773 CA PHE A 52 8.494 -3.917 -4.247 1.00 0.00 C ATOM 774 C PHE A 52 9.167 -4.468 -2.993 1.00 0.00 C ATOM 775 O PHE A 52 10.219 -5.104 -3.068 1.00 0.00 O ATOM 776 CB PHE A 52 8.717 -2.406 -4.336 1.00 0.00 C ATOM 777 CG PHE A 52 10.157 -2.022 -4.521 1.00 0.00 C ATOM 778 CD1 PHE A 52 11.071 -2.196 -3.494 1.00 0.00 C ATOM 779 CD2 PHE A 52 10.597 -1.487 -5.721 1.00 0.00 C ATOM 780 CE1 PHE A 52 12.397 -1.843 -3.661 1.00 0.00 C ATOM 781 CE2 PHE A 52 11.922 -1.133 -5.894 1.00 0.00 C ATOM 782 CZ PHE A 52 12.823 -1.311 -4.863 1.00 0.00 C ATOM 0 H PHE A 52 6.470 -3.434 -4.505 1.00 0.00 H new ATOM 0 HA PHE A 52 8.941 -4.396 -5.118 1.00 0.00 H new ATOM 0 HB2 PHE A 52 8.134 -2.009 -5.167 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.338 -1.937 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 52 10.744 -2.612 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.897 -1.345 -6.531 1.00 0.00 H new ATOM 0 HE1 PHE A 52 13.099 -1.983 -2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.252 -0.718 -6.835 1.00 0.00 H new ATOM 0 HZ PHE A 52 13.859 -1.035 -4.996 1.00 0.00 H new ATOM 792 N TYR A 53 8.553 -4.219 -1.842 1.00 0.00 N ATOM 793 CA TYR A 53 9.093 -4.687 -0.571 1.00 0.00 C ATOM 794 C TYR A 53 8.868 -6.187 -0.402 1.00 0.00 C ATOM 795 O TYR A 53 9.817 -6.972 -0.399 1.00 0.00 O ATOM 796 CB TYR A 53 8.448 -3.930 0.591 1.00 0.00 C ATOM 797 CG TYR A 53 8.797 -2.459 0.623 1.00 0.00 C ATOM 798 CD1 TYR A 53 9.955 -2.013 1.249 1.00 0.00 C ATOM 799 CD2 TYR A 53 7.969 -1.515 0.030 1.00 0.00 C ATOM 800 CE1 TYR A 53 10.278 -0.670 1.281 1.00 0.00 C ATOM 801 CE2 TYR A 53 8.284 -0.171 0.056 1.00 0.00 C ATOM 802 CZ TYR A 53 9.439 0.247 0.683 1.00 0.00 C ATOM 803 OH TYR A 53 9.756 1.586 0.712 1.00 0.00 O ATOM 0 H TYR A 53 7.681 -3.696 -1.763 1.00 0.00 H new ATOM 0 HA TYR A 53 10.166 -4.496 -0.570 1.00 0.00 H new ATOM 0 HB2 TYR A 53 7.365 -4.037 0.527 1.00 0.00 H new ATOM 0 HB3 TYR A 53 8.758 -4.389 1.530 1.00 0.00 H new ATOM 0 HD1 TYR A 53 10.614 -2.729 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 53 7.062 -1.838 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 53 11.182 -0.340 1.771 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.629 0.549 -0.412 1.00 0.00 H new ATOM 0 HH TYR A 53 10.730 1.691 0.733 1.00 0.00 H new ATOM 813 N PHE A 54 7.606 -6.577 -0.263 1.00 0.00 N ATOM 814 CA PHE A 54 7.254 -7.982 -0.094 1.00 0.00 C ATOM 815 C PHE A 54 6.247 -8.422 -1.153 1.00 0.00 C ATOM 816 O PHE A 54 5.065 -8.084 -1.100 1.00 0.00 O ATOM 817 CB PHE A 54 6.679 -8.221 1.303 1.00 0.00 C ATOM 818 CG PHE A 54 7.478 -7.577 2.399 1.00 0.00 C ATOM 819 CD1 PHE A 54 8.771 -7.995 2.669 1.00 0.00 C ATOM 820 CD2 PHE A 54 6.937 -6.553 3.160 1.00 0.00 C ATOM 821 CE1 PHE A 54 9.510 -7.404 3.677 1.00 0.00 C ATOM 822 CE2 PHE A 54 7.671 -5.957 4.168 1.00 0.00 C ATOM 823 CZ PHE A 54 8.959 -6.385 4.428 1.00 0.00 C ATOM 0 H PHE A 54 6.809 -5.940 -0.264 1.00 0.00 H new ATOM 0 HA PHE A 54 8.161 -8.575 -0.212 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.658 -7.840 1.337 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.625 -9.294 1.486 1.00 0.00 H new ATOM 0 HD1 PHE A 54 9.207 -8.792 2.085 1.00 0.00 H new ATOM 0 HD2 PHE A 54 5.930 -6.217 2.963 1.00 0.00 H new ATOM 0 HE1 PHE A 54 10.517 -7.739 3.877 1.00 0.00 H new ATOM 0 HE2 PHE A 54 7.239 -5.158 4.752 1.00 0.00 H new ATOM 0 HZ PHE A 54 9.534 -5.923 5.217 1.00 0.00 H new ATOM 833 N PRO A 55 6.726 -9.195 -2.139 1.00 0.00 N ATOM 834 CA PRO A 55 5.886 -9.698 -3.230 1.00 0.00 C ATOM 835 C PRO A 55 4.890 -10.751 -2.756 1.00 0.00 C ATOM 836 O PRO A 55 3.703 -10.687 -3.075 1.00 0.00 O ATOM 837 CB PRO A 55 6.896 -10.316 -4.200 1.00 0.00 C ATOM 838 CG PRO A 55 8.066 -10.676 -3.350 1.00 0.00 C ATOM 839 CD PRO A 55 8.125 -9.637 -2.265 1.00 0.00 C ATOM 0 HA PRO A 55 5.277 -8.909 -3.672 1.00 0.00 H new ATOM 0 HB2 PRO A 55 6.482 -11.194 -4.696 1.00 0.00 H new ATOM 0 HB3 PRO A 55 7.177 -9.610 -4.982 1.00 0.00 H new ATOM 0 HG2 PRO A 55 7.949 -11.674 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.986 -10.682 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.501 -10.053 -1.330 1.00 0.00 H new ATOM 0 HD3 PRO A 55 8.784 -8.812 -2.534 1.00 0.00 H new ATOM 847 N LYS A 56 5.381 -11.721 -1.991 1.00 0.00 N ATOM 848 CA LYS A 56 4.534 -12.788 -1.471 1.00 0.00 C ATOM 849 C LYS A 56 3.359 -12.216 -0.685 1.00 0.00 C ATOM 850 O LYS A 56 2.221 -12.657 -0.844 1.00 0.00 O ATOM 851 CB LYS A 56 5.351 -13.725 -0.577 1.00 0.00 C ATOM 852 CG LYS A 56 6.420 -14.501 -1.326 1.00 0.00 C ATOM 853 CD LYS A 56 7.433 -15.114 -0.374 1.00 0.00 C ATOM 854 CE LYS A 56 6.779 -16.110 0.572 1.00 0.00 C ATOM 855 NZ LYS A 56 7.639 -16.400 1.753 1.00 0.00 N ATOM 0 H LYS A 56 6.361 -11.790 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 56 4.142 -13.352 -2.317 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.824 -13.140 0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.676 -14.429 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 56 5.952 -15.288 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 56 6.930 -13.838 -2.024 1.00 0.00 H new ATOM 0 HD2 LYS A 56 8.215 -15.614 -0.946 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.915 -14.325 0.203 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.820 -15.715 0.909 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.572 -17.037 0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.158 -17.083 2.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.544 -16.800 1.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.816 -15.520 2.278 1.00 0.00 H new ATOM 869 N MET A 57 3.641 -11.230 0.160 1.00 0.00 N ATOM 870 CA MET A 57 2.605 -10.596 0.967 1.00 0.00 C ATOM 871 C MET A 57 1.485 -10.053 0.086 1.00 0.00 C ATOM 872 O MET A 57 0.309 -10.126 0.444 1.00 0.00 O ATOM 873 CB MET A 57 3.204 -9.464 1.806 1.00 0.00 C ATOM 874 CG MET A 57 4.135 -9.950 2.905 1.00 0.00 C ATOM 875 SD MET A 57 3.246 -10.528 4.364 1.00 0.00 S ATOM 876 CE MET A 57 2.909 -8.975 5.192 1.00 0.00 C ATOM 0 H MET A 57 4.578 -10.853 0.304 1.00 0.00 H new ATOM 0 HA MET A 57 2.186 -11.350 1.633 1.00 0.00 H new ATOM 0 HB2 MET A 57 3.751 -8.787 1.150 1.00 0.00 H new ATOM 0 HB3 MET A 57 2.395 -8.888 2.255 1.00 0.00 H new ATOM 0 HG2 MET A 57 4.756 -10.758 2.519 1.00 0.00 H new ATOM 0 HG3 MET A 57 4.807 -9.141 3.191 1.00 0.00 H new ATOM 0 HE1 MET A 57 3.246 -9.034 6.227 1.00 0.00 H new ATOM 0 HE2 MET A 57 3.438 -8.169 4.683 1.00 0.00 H new ATOM 0 HE3 MET A 57 1.838 -8.776 5.170 1.00 0.00 H new ATOM 886 N VAL A 58 1.857 -9.508 -1.068 1.00 0.00 N ATOM 887 CA VAL A 58 0.883 -8.954 -2.001 1.00 0.00 C ATOM 888 C VAL A 58 0.091 -10.060 -2.690 1.00 0.00 C ATOM 889 O VAL A 58 0.667 -10.960 -3.301 1.00 0.00 O ATOM 890 CB VAL A 58 1.565 -8.082 -3.072 1.00 0.00 C ATOM 891 CG1 VAL A 58 0.581 -7.726 -4.176 1.00 0.00 C ATOM 892 CG2 VAL A 58 2.150 -6.827 -2.443 1.00 0.00 C ATOM 0 H VAL A 58 2.826 -9.438 -1.379 1.00 0.00 H new ATOM 0 HA VAL A 58 0.203 -8.334 -1.417 1.00 0.00 H new ATOM 0 HB VAL A 58 2.381 -8.653 -3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 58 1.080 -7.110 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 58 0.214 -8.639 -4.645 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.258 -7.174 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 58 2.628 -6.223 -3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 58 1.354 -6.251 -1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.888 -7.107 -1.692 1.00 0.00 H new ATOM 902 N GLU A 59 -1.232 -9.985 -2.587 1.00 0.00 N ATOM 903 CA GLU A 59 -2.103 -10.981 -3.201 1.00 0.00 C ATOM 904 C GLU A 59 -3.211 -10.311 -4.008 1.00 0.00 C ATOM 905 O GLU A 59 -4.385 -10.654 -3.874 1.00 0.00 O ATOM 906 CB GLU A 59 -2.714 -11.886 -2.129 1.00 0.00 C ATOM 907 CG GLU A 59 -1.748 -12.929 -1.591 1.00 0.00 C ATOM 908 CD GLU A 59 -1.648 -14.149 -2.486 1.00 0.00 C ATOM 909 OE1 GLU A 59 -2.697 -14.767 -2.766 1.00 0.00 O ATOM 910 OE2 GLU A 59 -0.522 -14.485 -2.907 1.00 0.00 O ATOM 0 H GLU A 59 -1.724 -9.246 -2.085 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.500 -11.587 -3.877 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.067 -11.269 -1.303 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.586 -12.391 -2.545 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.760 -12.482 -1.482 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.070 -13.238 -0.597 1.00 0.00 H new ATOM 917 N MET A 60 -2.829 -9.352 -4.845 1.00 0.00 N ATOM 918 CA MET A 60 -3.789 -8.634 -5.674 1.00 0.00 C ATOM 919 C MET A 60 -4.607 -9.603 -6.522 1.00 0.00 C ATOM 920 O MET A 60 -5.682 -9.258 -7.015 1.00 0.00 O ATOM 921 CB MET A 60 -3.067 -7.632 -6.578 1.00 0.00 C ATOM 922 CG MET A 60 -2.794 -6.296 -5.907 1.00 0.00 C ATOM 923 SD MET A 60 -2.728 -4.930 -7.082 1.00 0.00 S ATOM 924 CE MET A 60 -4.454 -4.797 -7.545 1.00 0.00 C ATOM 0 H MET A 60 -1.861 -9.054 -4.967 1.00 0.00 H new ATOM 0 HA MET A 60 -4.468 -8.094 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 60 -2.122 -8.065 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 60 -3.667 -7.464 -7.473 1.00 0.00 H new ATOM 0 HG2 MET A 60 -3.572 -6.099 -5.169 1.00 0.00 H new ATOM 0 HG3 MET A 60 -1.849 -6.351 -5.367 1.00 0.00 H new ATOM 0 HE1 MET A 60 -4.539 -4.781 -8.632 1.00 0.00 H new ATOM 0 HE2 MET A 60 -5.003 -5.652 -7.151 1.00 0.00 H new ATOM 0 HE3 MET A 60 -4.871 -3.877 -7.135 1.00 0.00 H new ATOM 934 N HIS A 61 -4.092 -10.817 -6.688 1.00 0.00 N ATOM 935 CA HIS A 61 -4.776 -11.836 -7.476 1.00 0.00 C ATOM 936 C HIS A 61 -6.269 -11.856 -7.161 1.00 0.00 C ATOM 937 O HIS A 61 -7.079 -12.295 -7.977 1.00 0.00 O ATOM 938 CB HIS A 61 -4.168 -13.213 -7.207 1.00 0.00 C ATOM 939 CG HIS A 61 -4.831 -14.320 -7.966 1.00 0.00 C ATOM 940 ND1 HIS A 61 -4.702 -14.481 -9.329 1.00 0.00 N ATOM 941 CD2 HIS A 61 -5.632 -15.327 -7.544 1.00 0.00 C ATOM 942 CE1 HIS A 61 -5.397 -15.537 -9.714 1.00 0.00 C ATOM 943 NE2 HIS A 61 -5.970 -16.069 -8.649 1.00 0.00 N ATOM 0 H HIS A 61 -3.204 -11.119 -6.288 1.00 0.00 H new ATOM 0 HA HIS A 61 -4.648 -11.590 -8.530 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -3.109 -13.190 -7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -4.231 -13.427 -6.140 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -5.946 -15.512 -6.528 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -5.482 -15.903 -10.727 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -6.566 -16.896 -8.648 1.00 0.00 H new ATOM 952 N ASN A 62 -6.624 -11.378 -5.973 1.00 0.00 N ATOM 953 CA ASN A 62 -8.019 -11.343 -5.550 1.00 0.00 C ATOM 954 C ASN A 62 -8.620 -9.958 -5.773 1.00 0.00 C ATOM 955 O ASN A 62 -9.767 -9.829 -6.202 1.00 0.00 O ATOM 956 CB ASN A 62 -8.137 -11.730 -4.075 1.00 0.00 C ATOM 957 CG ASN A 62 -7.504 -13.076 -3.778 1.00 0.00 C ATOM 958 OD1 ASN A 62 -7.603 -14.010 -4.574 1.00 0.00 O ATOM 959 ND2 ASN A 62 -6.850 -13.181 -2.627 1.00 0.00 N ATOM 0 H ASN A 62 -5.965 -11.010 -5.287 1.00 0.00 H new ATOM 0 HA ASN A 62 -8.573 -12.062 -6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -7.661 -10.965 -3.462 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -9.189 -11.756 -3.792 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -6.404 -14.062 -2.372 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.794 -12.380 -1.998 1.00 0.00 H new ATOM 966 N TYR A 63 -7.838 -8.926 -5.481 1.00 0.00 N ATOM 967 CA TYR A 63 -8.292 -7.550 -5.648 1.00 0.00 C ATOM 968 C TYR A 63 -8.369 -7.177 -7.125 1.00 0.00 C ATOM 969 O TYR A 63 -7.522 -7.578 -7.924 1.00 0.00 O ATOM 970 CB TYR A 63 -7.355 -6.589 -4.915 1.00 0.00 C ATOM 971 CG TYR A 63 -7.384 -6.743 -3.412 1.00 0.00 C ATOM 972 CD1 TYR A 63 -8.435 -6.232 -2.661 1.00 0.00 C ATOM 973 CD2 TYR A 63 -6.360 -7.401 -2.742 1.00 0.00 C ATOM 974 CE1 TYR A 63 -8.465 -6.370 -1.287 1.00 0.00 C ATOM 975 CE2 TYR A 63 -6.382 -7.545 -1.368 1.00 0.00 C ATOM 976 CZ TYR A 63 -7.436 -7.027 -0.645 1.00 0.00 C ATOM 977 OH TYR A 63 -7.463 -7.168 0.724 1.00 0.00 O ATOM 0 H TYR A 63 -6.886 -9.015 -5.127 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.291 -7.469 -5.220 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.336 -6.748 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -7.625 -5.565 -5.172 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -9.243 -5.718 -3.160 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -5.533 -7.807 -3.305 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.290 -5.966 -0.719 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -5.578 -8.060 -0.863 1.00 0.00 H new ATOM 0 HH TYR A 63 -6.665 -7.655 1.018 1.00 0.00 H new ATOM 987 N VAL A 64 -9.391 -6.406 -7.482 1.00 0.00 N ATOM 988 CA VAL A 64 -9.579 -5.976 -8.862 1.00 0.00 C ATOM 989 C VAL A 64 -10.066 -4.533 -8.927 1.00 0.00 C ATOM 990 O VAL A 64 -10.920 -4.104 -8.151 1.00 0.00 O ATOM 991 CB VAL A 64 -10.586 -6.879 -9.599 1.00 0.00 C ATOM 992 CG1 VAL A 64 -10.838 -6.361 -11.007 1.00 0.00 C ATOM 993 CG2 VAL A 64 -10.089 -8.316 -9.632 1.00 0.00 C ATOM 0 H VAL A 64 -10.102 -6.066 -6.834 1.00 0.00 H new ATOM 0 HA VAL A 64 -8.608 -6.051 -9.352 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.531 -6.858 -9.056 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -11.552 -7.012 -11.512 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -11.242 -5.350 -10.956 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -9.901 -6.350 -11.564 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -10.813 -8.939 -10.156 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.131 -8.358 -10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.966 -8.682 -8.613 1.00 0.00 H new ATOM 1003 N PRO A 65 -9.510 -3.764 -9.875 1.00 0.00 N ATOM 1004 CA PRO A 65 -9.873 -2.356 -10.065 1.00 0.00 C ATOM 1005 C PRO A 65 -11.284 -2.190 -10.619 1.00 0.00 C ATOM 1006 O PRO A 65 -11.551 -2.523 -11.773 1.00 0.00 O ATOM 1007 CB PRO A 65 -8.839 -1.857 -11.078 1.00 0.00 C ATOM 1008 CG PRO A 65 -8.419 -3.077 -11.823 1.00 0.00 C ATOM 1009 CD PRO A 65 -8.486 -4.209 -10.835 1.00 0.00 C ATOM 0 HA PRO A 65 -9.870 -1.804 -9.125 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.269 -1.112 -11.748 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.992 -1.386 -10.580 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.077 -3.261 -12.673 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.410 -2.964 -12.219 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.766 -5.146 -11.316 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.525 -4.375 -10.349 1.00 0.00 H new ATOM 1017 N ALA A 66 -12.184 -1.674 -9.789 1.00 0.00 N ATOM 1018 CA ALA A 66 -13.567 -1.462 -10.197 1.00 0.00 C ATOM 1019 C ALA A 66 -13.940 0.015 -10.125 1.00 0.00 C ATOM 1020 O ALA A 66 -13.796 0.651 -9.082 1.00 0.00 O ATOM 1021 CB ALA A 66 -14.505 -2.288 -9.330 1.00 0.00 C ATOM 0 H ALA A 66 -11.980 -1.395 -8.829 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.668 -1.785 -11.233 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -15.535 -2.120 -9.646 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.261 -3.345 -9.435 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -14.392 -1.991 -8.287 1.00 0.00 H new ATOM 1027 N ASN A 67 -14.421 0.554 -11.241 1.00 0.00 N ATOM 1028 CA ASN A 67 -14.814 1.957 -11.304 1.00 0.00 C ATOM 1029 C ASN A 67 -15.832 2.286 -10.217 1.00 0.00 C ATOM 1030 O ASN A 67 -15.864 3.402 -9.699 1.00 0.00 O ATOM 1031 CB ASN A 67 -15.398 2.283 -12.680 1.00 0.00 C ATOM 1032 CG ASN A 67 -14.323 2.531 -13.720 1.00 0.00 C ATOM 1033 OD1 ASN A 67 -13.824 1.598 -14.349 1.00 0.00 O ATOM 1034 ND2 ASN A 67 -13.960 3.795 -13.906 1.00 0.00 N ATOM 0 H ASN A 67 -14.548 0.041 -12.113 1.00 0.00 H new ATOM 0 HA ASN A 67 -13.924 2.565 -11.140 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -16.033 1.459 -13.007 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -16.035 3.164 -12.602 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.241 4.023 -14.592 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -14.400 4.537 -13.362 1.00 0.00 H new ATOM 1041 N SER A 68 -16.663 1.306 -9.875 1.00 0.00 N ATOM 1042 CA SER A 68 -17.684 1.492 -8.851 1.00 0.00 C ATOM 1043 C SER A 68 -17.048 1.784 -7.495 1.00 0.00 C ATOM 1044 O SER A 68 -16.034 1.187 -7.131 1.00 0.00 O ATOM 1045 CB SER A 68 -18.572 0.250 -8.754 1.00 0.00 C ATOM 1046 OG SER A 68 -19.199 -0.027 -9.995 1.00 0.00 O ATOM 0 H SER A 68 -16.649 0.375 -10.292 1.00 0.00 H new ATOM 0 HA SER A 68 -18.297 2.347 -9.136 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.972 -0.607 -8.447 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.330 0.400 -7.985 1.00 0.00 H new ATOM 0 HG SER A 68 -19.759 -0.826 -9.907 1.00 0.00 H new ATOM 1052 N LEU A 69 -17.651 2.705 -6.752 1.00 0.00 N ATOM 1053 CA LEU A 69 -17.145 3.077 -5.435 1.00 0.00 C ATOM 1054 C LEU A 69 -17.342 1.942 -4.435 1.00 0.00 C ATOM 1055 O LEU A 69 -16.383 1.458 -3.834 1.00 0.00 O ATOM 1056 CB LEU A 69 -17.848 4.340 -4.935 1.00 0.00 C ATOM 1057 CG LEU A 69 -17.193 5.047 -3.748 1.00 0.00 C ATOM 1058 CD1 LEU A 69 -17.061 4.098 -2.567 1.00 0.00 C ATOM 1059 CD2 LEU A 69 -15.832 5.602 -4.142 1.00 0.00 C ATOM 0 H LEU A 69 -18.491 3.208 -7.039 1.00 0.00 H new ATOM 0 HA LEU A 69 -16.077 3.275 -5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -17.914 5.047 -5.762 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -18.869 4.078 -4.658 1.00 0.00 H new ATOM 0 HG LEU A 69 -17.831 5.879 -3.450 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -16.593 4.619 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -18.050 3.749 -2.268 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -16.446 3.245 -2.853 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.381 6.102 -3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.187 4.786 -4.467 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -15.952 6.316 -4.956 1.00 0.00 H new ATOM 1071 N GLN A 70 -18.591 1.520 -4.264 1.00 0.00 N ATOM 1072 CA GLN A 70 -18.912 0.441 -3.338 1.00 0.00 C ATOM 1073 C GLN A 70 -17.796 -0.598 -3.305 1.00 0.00 C ATOM 1074 O GLN A 70 -17.385 -1.046 -2.235 1.00 0.00 O ATOM 1075 CB GLN A 70 -20.232 -0.223 -3.735 1.00 0.00 C ATOM 1076 CG GLN A 70 -21.425 0.718 -3.690 1.00 0.00 C ATOM 1077 CD GLN A 70 -22.709 0.055 -4.148 1.00 0.00 C ATOM 1078 OE1 GLN A 70 -22.880 -1.156 -4.009 1.00 0.00 O ATOM 1079 NE2 GLN A 70 -23.621 0.848 -4.698 1.00 0.00 N ATOM 0 H GLN A 70 -19.396 1.909 -4.754 1.00 0.00 H new ATOM 0 HA GLN A 70 -19.014 0.869 -2.341 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -20.137 -0.627 -4.743 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -20.419 -1.066 -3.070 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -21.554 1.087 -2.672 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -21.223 1.585 -4.320 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -23.437 1.847 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -24.505 0.458 -5.025 1.00 0.00 H new ATOM 1088 N GLN A 71 -17.312 -0.977 -4.483 1.00 0.00 N ATOM 1089 CA GLN A 71 -16.244 -1.964 -4.587 1.00 0.00 C ATOM 1090 C GLN A 71 -15.006 -1.511 -3.820 1.00 0.00 C ATOM 1091 O GLN A 71 -14.492 -2.233 -2.966 1.00 0.00 O ATOM 1092 CB GLN A 71 -15.888 -2.209 -6.055 1.00 0.00 C ATOM 1093 CG GLN A 71 -15.225 -3.554 -6.304 1.00 0.00 C ATOM 1094 CD GLN A 71 -15.972 -4.702 -5.653 1.00 0.00 C ATOM 1095 OE1 GLN A 71 -17.180 -4.624 -5.427 1.00 0.00 O ATOM 1096 NE2 GLN A 71 -15.254 -5.777 -5.347 1.00 0.00 N ATOM 0 H GLN A 71 -17.642 -0.616 -5.378 1.00 0.00 H new ATOM 0 HA GLN A 71 -16.601 -2.895 -4.147 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -16.795 -2.144 -6.656 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -15.222 -1.416 -6.396 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.161 -3.730 -7.378 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.204 -3.528 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.255 -5.799 -5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.702 -6.581 -4.907 1.00 0.00 H new ATOM 1105 N LYS A 72 -14.531 -0.309 -4.131 1.00 0.00 N ATOM 1106 CA LYS A 72 -13.354 0.243 -3.471 1.00 0.00 C ATOM 1107 C LYS A 72 -13.386 -0.043 -1.973 1.00 0.00 C ATOM 1108 O LYS A 72 -12.494 -0.702 -1.437 1.00 0.00 O ATOM 1109 CB LYS A 72 -13.270 1.752 -3.711 1.00 0.00 C ATOM 1110 CG LYS A 72 -13.151 2.128 -5.178 1.00 0.00 C ATOM 1111 CD LYS A 72 -11.699 2.207 -5.618 1.00 0.00 C ATOM 1112 CE LYS A 72 -11.108 0.823 -5.840 1.00 0.00 C ATOM 1113 NZ LYS A 72 -9.988 0.849 -6.821 1.00 0.00 N ATOM 0 H LYS A 72 -14.944 0.301 -4.836 1.00 0.00 H new ATOM 0 HA LYS A 72 -12.472 -0.236 -3.896 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -14.157 2.228 -3.293 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -12.411 2.150 -3.171 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.677 1.393 -5.787 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.637 3.089 -5.349 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.628 2.786 -6.539 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.117 2.736 -4.863 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -10.750 0.424 -4.891 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.887 0.148 -6.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -10.198 0.198 -7.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -9.874 1.814 -7.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.108 0.553 -6.352 1.00 0.00 H new ATOM 1127 N LEU A 73 -14.418 0.455 -1.302 1.00 0.00 N ATOM 1128 CA LEU A 73 -14.567 0.252 0.135 1.00 0.00 C ATOM 1129 C LEU A 73 -14.472 -1.229 0.488 1.00 0.00 C ATOM 1130 O LEU A 73 -13.739 -1.614 1.399 1.00 0.00 O ATOM 1131 CB LEU A 73 -15.906 0.817 0.614 1.00 0.00 C ATOM 1132 CG LEU A 73 -15.913 2.300 0.987 1.00 0.00 C ATOM 1133 CD1 LEU A 73 -17.318 2.751 1.354 1.00 0.00 C ATOM 1134 CD2 LEU A 73 -14.949 2.566 2.134 1.00 0.00 C ATOM 0 H LEU A 73 -15.165 1.003 -1.730 1.00 0.00 H new ATOM 0 HA LEU A 73 -13.756 0.780 0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -16.647 0.656 -0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -16.230 0.243 1.482 1.00 0.00 H new ATOM 0 HG LEU A 73 -15.583 2.874 0.121 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -17.304 3.809 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.983 2.597 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -17.676 2.171 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -14.967 3.626 2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -15.248 1.981 3.004 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -13.940 2.281 1.835 1.00 0.00 H new ATOM 1146 N SER A 74 -15.216 -2.055 -0.240 1.00 0.00 N ATOM 1147 CA SER A 74 -15.217 -3.494 -0.003 1.00 0.00 C ATOM 1148 C SER A 74 -13.796 -4.049 -0.026 1.00 0.00 C ATOM 1149 O SER A 74 -13.434 -4.891 0.794 1.00 0.00 O ATOM 1150 CB SER A 74 -16.071 -4.205 -1.054 1.00 0.00 C ATOM 1151 OG SER A 74 -16.485 -5.481 -0.597 1.00 0.00 O ATOM 0 H SER A 74 -15.826 -1.752 -0.999 1.00 0.00 H new ATOM 0 HA SER A 74 -15.643 -3.674 0.984 1.00 0.00 H new ATOM 0 HB2 SER A 74 -16.945 -3.598 -1.288 1.00 0.00 H new ATOM 0 HB3 SER A 74 -15.502 -4.313 -1.977 1.00 0.00 H new ATOM 0 HG SER A 74 -17.031 -5.914 -1.286 1.00 0.00 H new ATOM 1157 N ASN A 75 -12.995 -3.569 -0.971 1.00 0.00 N ATOM 1158 CA ASN A 75 -11.613 -4.017 -1.102 1.00 0.00 C ATOM 1159 C ASN A 75 -10.783 -3.578 0.100 1.00 0.00 C ATOM 1160 O ASN A 75 -10.170 -4.402 0.778 1.00 0.00 O ATOM 1161 CB ASN A 75 -10.997 -3.467 -2.390 1.00 0.00 C ATOM 1162 CG ASN A 75 -11.583 -4.110 -3.632 1.00 0.00 C ATOM 1163 OD1 ASN A 75 -12.356 -5.064 -3.545 1.00 0.00 O ATOM 1164 ND2 ASN A 75 -11.216 -3.589 -4.797 1.00 0.00 N ATOM 0 H ASN A 75 -13.279 -2.870 -1.657 1.00 0.00 H new ATOM 0 HA ASN A 75 -11.612 -5.106 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -11.155 -2.389 -2.433 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -9.920 -3.631 -2.373 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -11.577 -3.980 -5.667 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -10.573 -2.798 -4.822 1.00 0.00 H new ATOM 1171 N TRP A 76 -10.768 -2.275 0.357 1.00 0.00 N ATOM 1172 CA TRP A 76 -10.013 -1.726 1.479 1.00 0.00 C ATOM 1173 C TRP A 76 -10.230 -2.556 2.739 1.00 0.00 C ATOM 1174 O TRP A 76 -9.273 -2.970 3.393 1.00 0.00 O ATOM 1175 CB TRP A 76 -10.422 -0.274 1.733 1.00 0.00 C ATOM 1176 CG TRP A 76 -9.610 0.716 0.954 1.00 0.00 C ATOM 1177 CD1 TRP A 76 -9.955 1.313 -0.225 1.00 0.00 C ATOM 1178 CD2 TRP A 76 -8.316 1.223 1.299 1.00 0.00 C ATOM 1179 NE1 TRP A 76 -8.954 2.160 -0.634 1.00 0.00 N ATOM 1180 CE2 TRP A 76 -7.938 2.124 0.284 1.00 0.00 C ATOM 1181 CE3 TRP A 76 -7.441 1.006 2.366 1.00 0.00 C ATOM 1182 CZ2 TRP A 76 -6.723 2.804 0.307 1.00 0.00 C ATOM 1183 CZ3 TRP A 76 -6.235 1.681 2.388 1.00 0.00 C ATOM 1184 CH2 TRP A 76 -5.885 2.571 1.364 1.00 0.00 C ATOM 0 H TRP A 76 -11.269 -1.579 -0.195 1.00 0.00 H new ATOM 0 HA TRP A 76 -8.954 -1.759 1.223 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -11.475 -0.151 1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -10.324 -0.057 2.797 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -10.879 1.144 -0.758 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -8.965 2.724 -1.484 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -7.702 0.322 3.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -6.452 3.491 -0.481 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.551 1.520 3.208 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -4.935 3.083 1.410 1.00 0.00 H new ATOM 1195 N GLY A 77 -11.494 -2.797 3.074 1.00 0.00 N ATOM 1196 CA GLY A 77 -11.812 -3.577 4.256 1.00 0.00 C ATOM 1197 C GLY A 77 -11.037 -4.879 4.317 1.00 0.00 C ATOM 1198 O GLY A 77 -10.587 -5.292 5.386 1.00 0.00 O ATOM 0 H GLY A 77 -12.303 -2.466 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.595 -2.987 5.146 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -12.880 -3.793 4.269 1.00 0.00 H new ATOM 1202 N HIS A 78 -10.882 -5.528 3.168 1.00 0.00 N ATOM 1203 CA HIS A 78 -10.157 -6.792 3.095 1.00 0.00 C ATOM 1204 C HIS A 78 -8.665 -6.576 3.331 1.00 0.00 C ATOM 1205 O HIS A 78 -8.028 -7.326 4.073 1.00 0.00 O ATOM 1206 CB HIS A 78 -10.380 -7.454 1.736 1.00 0.00 C ATOM 1207 CG HIS A 78 -11.811 -7.804 1.467 1.00 0.00 C ATOM 1208 ND1 HIS A 78 -12.345 -7.866 0.197 1.00 0.00 N ATOM 1209 CD2 HIS A 78 -12.821 -8.112 2.314 1.00 0.00 C ATOM 1210 CE1 HIS A 78 -13.622 -8.196 0.274 1.00 0.00 C ATOM 1211 NE2 HIS A 78 -13.936 -8.351 1.548 1.00 0.00 N ATOM 0 H HIS A 78 -11.249 -5.200 2.274 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.539 -7.448 3.877 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.025 -6.784 0.953 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.776 -8.360 1.679 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -12.761 -8.161 3.391 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -14.295 -8.318 -0.562 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -14.857 -8.607 1.905 1.00 0.00 H new ATOM 1220 N LEU A 79 -8.113 -5.548 2.696 1.00 0.00 N ATOM 1221 CA LEU A 79 -6.695 -5.234 2.836 1.00 0.00 C ATOM 1222 C LEU A 79 -6.342 -4.947 4.292 1.00 0.00 C ATOM 1223 O LEU A 79 -5.172 -4.960 4.671 1.00 0.00 O ATOM 1224 CB LEU A 79 -6.330 -4.032 1.964 1.00 0.00 C ATOM 1225 CG LEU A 79 -4.879 -3.965 1.487 1.00 0.00 C ATOM 1226 CD1 LEU A 79 -4.682 -4.833 0.254 1.00 0.00 C ATOM 1227 CD2 LEU A 79 -4.480 -2.525 1.196 1.00 0.00 C ATOM 0 H LEU A 79 -8.625 -4.918 2.079 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.122 -6.101 2.507 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.980 -4.033 1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.550 -3.123 2.523 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.237 -4.346 2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.643 -4.773 -0.071 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.928 -5.867 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -5.334 -4.482 -0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.444 -2.496 0.858 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.127 -2.118 0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.582 -1.929 2.103 1.00 0.00 H new ATOM 1239 N ASN A 80 -7.363 -4.689 5.103 1.00 0.00 N ATOM 1240 CA ASN A 80 -7.161 -4.400 6.518 1.00 0.00 C ATOM 1241 C ASN A 80 -6.943 -5.685 7.310 1.00 0.00 C ATOM 1242 O ASN A 80 -6.136 -5.725 8.238 1.00 0.00 O ATOM 1243 CB ASN A 80 -8.362 -3.638 7.081 1.00 0.00 C ATOM 1244 CG ASN A 80 -8.140 -3.182 8.510 1.00 0.00 C ATOM 1245 OD1 ASN A 80 -7.055 -3.354 9.066 1.00 0.00 O ATOM 1246 ND2 ASN A 80 -9.169 -2.597 9.112 1.00 0.00 N ATOM 0 H ASN A 80 -8.338 -4.674 4.805 1.00 0.00 H new ATOM 0 HA ASN A 80 -6.269 -3.780 6.613 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -8.565 -2.770 6.453 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -9.245 -4.275 7.039 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -9.078 -2.269 10.074 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -10.050 -2.475 8.613 1.00 0.00 H new ATOM 1253 N ARG A 81 -7.669 -6.734 6.937 1.00 0.00 N ATOM 1254 CA ARG A 81 -7.556 -8.021 7.612 1.00 0.00 C ATOM 1255 C ARG A 81 -6.731 -9.000 6.782 1.00 0.00 C ATOM 1256 O ARG A 81 -6.592 -10.170 7.139 1.00 0.00 O ATOM 1257 CB ARG A 81 -8.944 -8.605 7.878 1.00 0.00 C ATOM 1258 CG ARG A 81 -9.666 -7.954 9.046 1.00 0.00 C ATOM 1259 CD ARG A 81 -10.684 -8.896 9.668 1.00 0.00 C ATOM 1260 NE ARG A 81 -11.610 -9.434 8.675 1.00 0.00 N ATOM 1261 CZ ARG A 81 -12.649 -10.204 8.979 1.00 0.00 C ATOM 1262 NH1 ARG A 81 -12.893 -10.524 10.243 1.00 0.00 N ATOM 1263 NH2 ARG A 81 -13.447 -10.654 8.020 1.00 0.00 N ATOM 0 H ARG A 81 -8.342 -6.718 6.171 1.00 0.00 H new ATOM 0 HA ARG A 81 -7.049 -7.860 8.563 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -9.552 -8.497 6.980 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.848 -9.673 8.071 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -8.940 -7.652 9.801 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -10.168 -7.048 8.706 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -10.164 -9.717 10.161 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -11.245 -8.366 10.438 1.00 0.00 H new ATOM 0 HE ARG A 81 -11.450 -9.206 7.694 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -12.282 -10.179 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -13.691 -11.115 10.474 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -13.263 -10.409 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -14.244 -11.245 8.255 1.00 0.00 H new ATOM 1277 N LYS A 82 -6.185 -8.514 5.673 1.00 0.00 N ATOM 1278 CA LYS A 82 -5.373 -9.344 4.791 1.00 0.00 C ATOM 1279 C LYS A 82 -3.938 -8.830 4.729 1.00 0.00 C ATOM 1280 O LYS A 82 -2.992 -9.611 4.620 1.00 0.00 O ATOM 1281 CB LYS A 82 -5.976 -9.373 3.385 1.00 0.00 C ATOM 1282 CG LYS A 82 -7.278 -10.152 3.298 1.00 0.00 C ATOM 1283 CD LYS A 82 -7.026 -11.638 3.100 1.00 0.00 C ATOM 1284 CE LYS A 82 -8.281 -12.357 2.629 1.00 0.00 C ATOM 1285 NZ LYS A 82 -8.271 -13.797 3.011 1.00 0.00 N ATOM 0 H LYS A 82 -6.290 -7.548 5.363 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.361 -10.356 5.196 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.151 -8.350 3.053 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.253 -9.812 2.697 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -7.857 -9.998 4.209 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.877 -9.770 2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.229 -11.779 2.370 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.683 -12.078 4.036 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -9.159 -11.874 3.057 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -8.365 -12.269 1.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -9.143 -14.252 2.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.447 -14.264 2.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -8.216 -13.881 4.046 1.00 0.00 H new ATOM 1299 N VAL A 83 -3.783 -7.512 4.801 1.00 0.00 N ATOM 1300 CA VAL A 83 -2.463 -6.894 4.756 1.00 0.00 C ATOM 1301 C VAL A 83 -2.107 -6.260 6.096 1.00 0.00 C ATOM 1302 O VAL A 83 -1.293 -6.793 6.851 1.00 0.00 O ATOM 1303 CB VAL A 83 -2.383 -5.821 3.655 1.00 0.00 C ATOM 1304 CG1 VAL A 83 -1.013 -5.159 3.652 1.00 0.00 C ATOM 1305 CG2 VAL A 83 -2.693 -6.428 2.295 1.00 0.00 C ATOM 0 H VAL A 83 -4.555 -6.852 4.891 1.00 0.00 H new ATOM 0 HA VAL A 83 -1.750 -7.687 4.532 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.130 -5.055 3.864 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.976 -4.404 2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.835 -4.687 4.618 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.246 -5.911 3.468 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.632 -5.655 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.972 -7.215 2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.698 -6.850 2.305 1.00 0.00 H new ATOM 1315 N LEU A 84 -2.722 -5.118 6.386 1.00 0.00 N ATOM 1316 CA LEU A 84 -2.471 -4.410 7.636 1.00 0.00 C ATOM 1317 C LEU A 84 -2.421 -5.381 8.811 1.00 0.00 C ATOM 1318 O LEU A 84 -1.561 -5.271 9.685 1.00 0.00 O ATOM 1319 CB LEU A 84 -3.554 -3.357 7.875 1.00 0.00 C ATOM 1320 CG LEU A 84 -3.794 -2.370 6.732 1.00 0.00 C ATOM 1321 CD1 LEU A 84 -5.095 -1.611 6.946 1.00 0.00 C ATOM 1322 CD2 LEU A 84 -2.625 -1.403 6.607 1.00 0.00 C ATOM 0 H LEU A 84 -3.398 -4.663 5.772 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.503 -3.915 7.557 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -4.492 -3.871 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -3.291 -2.791 8.768 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.874 -2.934 5.802 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.249 -0.913 6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -5.925 -2.316 6.984 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.044 -1.059 7.885 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.813 -0.708 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.512 -0.846 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -1.711 -1.961 6.406 1.00 0.00 H new ATOM 1334 N LYS A 85 -3.349 -6.332 8.826 1.00 0.00 N ATOM 1335 CA LYS A 85 -3.410 -7.325 9.891 1.00 0.00 C ATOM 1336 C LYS A 85 -2.020 -7.866 10.212 1.00 0.00 C ATOM 1337 O LYS A 85 -1.634 -7.961 11.377 1.00 0.00 O ATOM 1338 CB LYS A 85 -4.337 -8.475 9.492 1.00 0.00 C ATOM 1339 CG LYS A 85 -5.037 -9.130 10.670 1.00 0.00 C ATOM 1340 CD LYS A 85 -4.161 -10.186 11.322 1.00 0.00 C ATOM 1341 CE LYS A 85 -4.970 -11.096 12.235 1.00 0.00 C ATOM 1342 NZ LYS A 85 -5.436 -10.383 13.456 1.00 0.00 N ATOM 0 H LYS A 85 -4.070 -6.436 8.112 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.806 -6.840 10.783 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.088 -8.100 8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -3.758 -9.229 8.959 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -5.301 -8.370 11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.968 -9.586 10.334 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -3.674 -10.783 10.551 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.372 -9.701 11.896 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.831 -11.485 11.691 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.362 -11.953 12.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.983 -11.036 14.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -4.614 -10.034 13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.037 -9.580 13.181 1.00 0.00 H new ATOM 1356 N ARG A 86 -1.273 -8.219 9.170 1.00 0.00 N ATOM 1357 CA ARG A 86 0.074 -8.750 9.341 1.00 0.00 C ATOM 1358 C ARG A 86 1.053 -7.640 9.712 1.00 0.00 C ATOM 1359 O ARG A 86 2.129 -7.901 10.251 1.00 0.00 O ATOM 1360 CB ARG A 86 0.536 -9.446 8.060 1.00 0.00 C ATOM 1361 CG ARG A 86 -0.455 -10.469 7.531 1.00 0.00 C ATOM 1362 CD ARG A 86 -0.193 -11.851 8.110 1.00 0.00 C ATOM 1363 NE ARG A 86 1.155 -12.325 7.806 1.00 0.00 N ATOM 1364 CZ ARG A 86 1.572 -13.562 8.053 1.00 0.00 C ATOM 1365 NH1 ARG A 86 0.750 -14.445 8.603 1.00 0.00 N ATOM 1366 NH2 ARG A 86 2.813 -13.918 7.748 1.00 0.00 N ATOM 0 H ARG A 86 -1.578 -8.147 8.199 1.00 0.00 H new ATOM 0 HA ARG A 86 0.051 -9.476 10.153 1.00 0.00 H new ATOM 0 HB2 ARG A 86 0.713 -8.694 7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 86 1.489 -9.940 8.249 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -1.469 -10.156 7.779 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.391 -10.511 6.444 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.333 -11.824 9.191 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.923 -12.555 7.712 1.00 0.00 H new ATOM 0 HE ARG A 86 1.812 -11.671 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -0.205 -14.175 8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 86 1.073 -15.394 8.791 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.448 -13.242 7.324 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.132 -14.868 7.938 1.00 0.00 H new ATOM 1380 N LEU A 87 0.673 -6.401 9.419 1.00 0.00 N ATOM 1381 CA LEU A 87 1.517 -5.250 9.721 1.00 0.00 C ATOM 1382 C LEU A 87 1.114 -4.612 11.046 1.00 0.00 C ATOM 1383 O LEU A 87 1.428 -3.451 11.308 1.00 0.00 O ATOM 1384 CB LEU A 87 1.427 -4.218 8.596 1.00 0.00 C ATOM 1385 CG LEU A 87 1.943 -4.668 7.229 1.00 0.00 C ATOM 1386 CD1 LEU A 87 1.499 -3.699 6.144 1.00 0.00 C ATOM 1387 CD2 LEU A 87 3.460 -4.793 7.246 1.00 0.00 C ATOM 0 H LEU A 87 -0.214 -6.168 8.973 1.00 0.00 H new ATOM 0 HA LEU A 87 2.547 -5.597 9.805 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.385 -3.918 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.984 -3.331 8.898 1.00 0.00 H new ATOM 0 HG LEU A 87 1.520 -5.648 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 87 1.876 -4.036 5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 87 0.410 -3.660 6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.892 -2.706 6.360 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.810 -5.114 6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.902 -3.827 7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.756 -5.527 7.995 1.00 0.00 H new ATOM 1399 N ASN A 88 0.419 -5.379 11.879 1.00 0.00 N ATOM 1400 CA ASN A 88 -0.026 -4.888 13.179 1.00 0.00 C ATOM 1401 C ASN A 88 -0.603 -3.481 13.060 1.00 0.00 C ATOM 1402 O ASN A 88 -0.509 -2.679 13.990 1.00 0.00 O ATOM 1403 CB ASN A 88 1.136 -4.893 14.174 1.00 0.00 C ATOM 1404 CG ASN A 88 0.666 -5.002 15.611 1.00 0.00 C ATOM 1405 OD1 ASN A 88 0.745 -4.041 16.377 1.00 0.00 O ATOM 1406 ND2 ASN A 88 0.174 -6.178 15.985 1.00 0.00 N ATOM 0 H ASN A 88 0.152 -6.343 11.678 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.809 -5.553 13.543 1.00 0.00 H new ATOM 0 HB2 ASN A 88 1.801 -5.727 13.948 1.00 0.00 H new ATOM 0 HB3 ASN A 88 1.718 -3.979 14.053 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -0.157 -6.312 16.940 1.00 0.00 H new ATOM 0 HD22 ASN A 88 0.127 -6.947 15.317 1.00 0.00 H new ATOM 1413 N PHE A 89 -1.201 -3.187 11.911 1.00 0.00 N ATOM 1414 CA PHE A 89 -1.793 -1.876 11.670 1.00 0.00 C ATOM 1415 C PHE A 89 -3.314 -1.974 11.587 1.00 0.00 C ATOM 1416 O PHE A 89 -3.854 -2.822 10.877 1.00 0.00 O ATOM 1417 CB PHE A 89 -1.238 -1.272 10.379 1.00 0.00 C ATOM 1418 CG PHE A 89 -1.325 0.227 10.333 1.00 0.00 C ATOM 1419 CD1 PHE A 89 -2.530 0.857 10.068 1.00 0.00 C ATOM 1420 CD2 PHE A 89 -0.201 1.006 10.555 1.00 0.00 C ATOM 1421 CE1 PHE A 89 -2.612 2.236 10.025 1.00 0.00 C ATOM 1422 CE2 PHE A 89 -0.277 2.386 10.514 1.00 0.00 C ATOM 1423 CZ PHE A 89 -1.484 3.001 10.249 1.00 0.00 C ATOM 0 H PHE A 89 -1.289 -3.839 11.131 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.533 -1.228 12.507 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.196 -1.571 10.266 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.782 -1.686 9.530 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.415 0.264 9.893 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.746 0.530 10.763 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -3.557 2.715 9.816 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.607 2.982 10.689 1.00 0.00 H new ATOM 0 HZ PHE A 89 -1.546 4.079 10.217 1.00 0.00 H new ATOM 1433 N SER A 90 -3.998 -1.099 12.317 1.00 0.00 N ATOM 1434 CA SER A 90 -5.456 -1.088 12.330 1.00 0.00 C ATOM 1435 C SER A 90 -5.993 0.262 11.867 1.00 0.00 C ATOM 1436 O SER A 90 -5.348 1.295 12.048 1.00 0.00 O ATOM 1437 CB SER A 90 -5.977 -1.403 13.734 1.00 0.00 C ATOM 1438 OG SER A 90 -5.699 -0.342 14.631 1.00 0.00 O ATOM 0 H SER A 90 -3.566 -0.388 12.907 1.00 0.00 H new ATOM 0 HA SER A 90 -5.807 -1.855 11.640 1.00 0.00 H new ATOM 0 HB2 SER A 90 -7.052 -1.579 13.695 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.517 -2.321 14.098 1.00 0.00 H new ATOM 0 HG SER A 90 -6.043 -0.567 15.521 1.00 0.00 H new ATOM 1444 N VAL A 91 -7.180 0.246 11.268 1.00 0.00 N ATOM 1445 CA VAL A 91 -7.806 1.468 10.779 1.00 0.00 C ATOM 1446 C VAL A 91 -9.326 1.345 10.777 1.00 0.00 C ATOM 1447 O VAL A 91 -9.894 0.376 10.273 1.00 0.00 O ATOM 1448 CB VAL A 91 -7.329 1.813 9.356 1.00 0.00 C ATOM 1449 CG1 VAL A 91 -8.293 2.782 8.689 1.00 0.00 C ATOM 1450 CG2 VAL A 91 -5.921 2.390 9.392 1.00 0.00 C ATOM 0 H VAL A 91 -7.727 -0.600 11.110 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.510 2.268 11.458 1.00 0.00 H new ATOM 0 HB VAL A 91 -7.308 0.896 8.767 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -7.939 3.014 7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -9.282 2.328 8.629 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -8.350 3.700 9.274 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.599 2.628 8.378 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -5.915 3.297 9.997 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.239 1.659 9.827 1.00 0.00 H new ATOM 1460 N PRO A 92 -10.002 2.349 11.354 1.00 0.00 N ATOM 1461 CA PRO A 92 -11.465 2.377 11.432 1.00 0.00 C ATOM 1462 C PRO A 92 -12.114 2.593 10.069 1.00 0.00 C ATOM 1463 O PRO A 92 -11.425 2.787 9.067 1.00 0.00 O ATOM 1464 CB PRO A 92 -11.750 3.565 12.353 1.00 0.00 C ATOM 1465 CG PRO A 92 -10.560 4.450 12.208 1.00 0.00 C ATOM 1466 CD PRO A 92 -9.390 3.536 11.975 1.00 0.00 C ATOM 0 HA PRO A 92 -11.871 1.433 11.794 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -12.665 4.081 12.062 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.880 3.243 13.386 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -10.687 5.141 11.375 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -10.411 5.054 13.103 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.647 3.993 11.322 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -8.884 3.286 12.907 1.00 0.00 H new ATOM 1474 N ASP A 93 -13.442 2.559 10.038 1.00 0.00 N ATOM 1475 CA ASP A 93 -14.183 2.752 8.798 1.00 0.00 C ATOM 1476 C ASP A 93 -14.278 4.234 8.447 1.00 0.00 C ATOM 1477 O ASP A 93 -14.135 4.618 7.286 1.00 0.00 O ATOM 1478 CB ASP A 93 -15.585 2.153 8.918 1.00 0.00 C ATOM 1479 CG ASP A 93 -16.411 2.824 9.998 1.00 0.00 C ATOM 1480 OD1 ASP A 93 -16.037 2.713 11.185 1.00 0.00 O ATOM 1481 OD2 ASP A 93 -17.430 3.459 9.657 1.00 0.00 O ATOM 0 H ASP A 93 -14.027 2.399 10.858 1.00 0.00 H new ATOM 0 HA ASP A 93 -13.645 2.241 7.999 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -16.099 2.245 7.961 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -15.504 1.088 9.135 1.00 0.00 H new ATOM 1486 N ASP A 94 -14.521 5.061 9.457 1.00 0.00 N ATOM 1487 CA ASP A 94 -14.635 6.501 9.256 1.00 0.00 C ATOM 1488 C ASP A 94 -13.451 7.033 8.454 1.00 0.00 C ATOM 1489 O ASP A 94 -13.595 7.961 7.657 1.00 0.00 O ATOM 1490 CB ASP A 94 -14.720 7.221 10.603 1.00 0.00 C ATOM 1491 CG ASP A 94 -13.689 6.717 11.594 1.00 0.00 C ATOM 1492 OD1 ASP A 94 -12.707 6.081 11.157 1.00 0.00 O ATOM 1493 OD2 ASP A 94 -13.864 6.959 12.807 1.00 0.00 O ATOM 0 H ASP A 94 -14.643 4.759 10.424 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.548 6.693 8.693 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -14.580 8.291 10.449 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.718 7.087 11.021 1.00 0.00 H new ATOM 1498 N VAL A 95 -12.281 6.441 8.672 1.00 0.00 N ATOM 1499 CA VAL A 95 -11.073 6.855 7.970 1.00 0.00 C ATOM 1500 C VAL A 95 -11.033 6.281 6.558 1.00 0.00 C ATOM 1501 O VAL A 95 -10.570 6.935 5.624 1.00 0.00 O ATOM 1502 CB VAL A 95 -9.805 6.415 8.727 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -8.568 6.631 7.869 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -9.686 7.163 10.046 1.00 0.00 C ATOM 0 H VAL A 95 -12.145 5.673 9.329 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.096 7.943 7.916 1.00 0.00 H new ATOM 0 HB VAL A 95 -9.885 5.350 8.945 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -7.683 6.314 8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -8.654 6.046 6.953 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.480 7.688 7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.785 6.840 10.567 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.629 8.234 9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -10.559 6.952 10.664 1.00 0.00 H new ATOM 1514 N MET A 96 -11.523 5.055 6.410 1.00 0.00 N ATOM 1515 CA MET A 96 -11.545 4.393 5.111 1.00 0.00 C ATOM 1516 C MET A 96 -12.514 5.091 4.161 1.00 0.00 C ATOM 1517 O MET A 96 -12.155 5.432 3.034 1.00 0.00 O ATOM 1518 CB MET A 96 -11.939 2.923 5.270 1.00 0.00 C ATOM 1519 CG MET A 96 -10.856 2.069 5.908 1.00 0.00 C ATOM 1520 SD MET A 96 -10.921 0.349 5.373 1.00 0.00 S ATOM 1521 CE MET A 96 -11.285 -0.474 6.921 1.00 0.00 C ATOM 0 H MET A 96 -11.910 4.500 7.173 1.00 0.00 H new ATOM 0 HA MET A 96 -10.543 4.449 4.686 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.843 2.861 5.876 1.00 0.00 H new ATOM 0 HB3 MET A 96 -12.183 2.513 4.290 1.00 0.00 H new ATOM 0 HG2 MET A 96 -9.879 2.485 5.662 1.00 0.00 H new ATOM 0 HG3 MET A 96 -10.957 2.112 6.992 1.00 0.00 H new ATOM 0 HE1 MET A 96 -11.029 -1.530 6.840 1.00 0.00 H new ATOM 0 HE2 MET A 96 -10.701 -0.019 7.721 1.00 0.00 H new ATOM 0 HE3 MET A 96 -12.347 -0.374 7.145 1.00 0.00 H new ATOM 1531 N ARG A 97 -13.742 5.301 4.625 1.00 0.00 N ATOM 1532 CA ARG A 97 -14.762 5.957 3.816 1.00 0.00 C ATOM 1533 C ARG A 97 -14.184 7.170 3.092 1.00 0.00 C ATOM 1534 O ARG A 97 -14.410 7.359 1.896 1.00 0.00 O ATOM 1535 CB ARG A 97 -15.940 6.386 4.692 1.00 0.00 C ATOM 1536 CG ARG A 97 -16.948 5.277 4.942 1.00 0.00 C ATOM 1537 CD ARG A 97 -18.113 5.764 5.791 1.00 0.00 C ATOM 1538 NE ARG A 97 -19.133 6.433 4.988 1.00 0.00 N ATOM 1539 CZ ARG A 97 -20.345 6.732 5.441 1.00 0.00 C ATOM 1540 NH1 ARG A 97 -20.686 6.424 6.685 1.00 0.00 N ATOM 1541 NH2 ARG A 97 -21.219 7.341 4.650 1.00 0.00 N ATOM 0 H ARG A 97 -14.054 5.026 5.556 1.00 0.00 H new ATOM 0 HA ARG A 97 -15.114 5.244 3.071 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -15.559 6.742 5.649 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -16.447 7.226 4.218 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.322 4.902 3.989 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -16.456 4.442 5.442 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -18.560 4.918 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.744 6.450 6.553 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.902 6.684 4.027 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -20.017 5.956 7.296 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -21.618 6.655 7.030 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -20.960 7.580 3.693 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -22.150 7.570 4.999 1.00 0.00 H new ATOM 1555 N LYS A 98 -13.439 7.990 3.824 1.00 0.00 N ATOM 1556 CA LYS A 98 -12.828 9.185 3.254 1.00 0.00 C ATOM 1557 C LYS A 98 -11.821 8.816 2.169 1.00 0.00 C ATOM 1558 O LYS A 98 -11.798 9.423 1.097 1.00 0.00 O ATOM 1559 CB LYS A 98 -12.137 10.002 4.348 1.00 0.00 C ATOM 1560 CG LYS A 98 -13.101 10.615 5.349 1.00 0.00 C ATOM 1561 CD LYS A 98 -12.429 10.866 6.689 1.00 0.00 C ATOM 1562 CE LYS A 98 -13.438 11.276 7.750 1.00 0.00 C ATOM 1563 NZ LYS A 98 -12.861 11.205 9.121 1.00 0.00 N ATOM 0 H LYS A 98 -13.243 7.849 4.815 1.00 0.00 H new ATOM 0 HA LYS A 98 -13.618 9.787 2.804 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -11.434 9.361 4.879 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -11.555 10.797 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -13.489 11.554 4.954 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -13.954 9.951 5.488 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -11.908 9.964 7.010 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -11.677 11.647 6.579 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -13.780 12.292 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -14.312 10.628 7.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.580 11.492 9.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -12.557 10.230 9.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -12.042 11.843 9.187 1.00 0.00 H new ATOM 1577 N ILE A 99 -10.991 7.817 2.453 1.00 0.00 N ATOM 1578 CA ILE A 99 -9.985 7.366 1.500 1.00 0.00 C ATOM 1579 C ILE A 99 -10.610 7.062 0.142 1.00 0.00 C ATOM 1580 O ILE A 99 -10.161 7.566 -0.886 1.00 0.00 O ATOM 1581 CB ILE A 99 -9.251 6.111 2.007 1.00 0.00 C ATOM 1582 CG1 ILE A 99 -8.469 6.431 3.283 1.00 0.00 C ATOM 1583 CG2 ILE A 99 -8.322 5.569 0.931 1.00 0.00 C ATOM 1584 CD1 ILE A 99 -7.985 5.202 4.019 1.00 0.00 C ATOM 0 H ILE A 99 -10.996 7.305 3.335 1.00 0.00 H new ATOM 0 HA ILE A 99 -9.266 8.179 1.393 1.00 0.00 H new ATOM 0 HB ILE A 99 -9.991 5.345 2.240 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -7.611 7.053 3.027 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.101 7.018 3.949 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -7.811 4.682 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -8.903 5.307 0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -7.586 6.329 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -7.439 5.504 4.913 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -8.840 4.590 4.306 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -7.327 4.625 3.370 1.00 0.00 H new ATOM 1596 N ALA A 100 -11.651 6.236 0.148 1.00 0.00 N ATOM 1597 CA ALA A 100 -12.341 5.867 -1.082 1.00 0.00 C ATOM 1598 C ALA A 100 -13.084 7.061 -1.673 1.00 0.00 C ATOM 1599 O ALA A 100 -13.357 7.101 -2.872 1.00 0.00 O ATOM 1600 CB ALA A 100 -13.305 4.719 -0.822 1.00 0.00 C ATOM 0 H ALA A 100 -12.035 5.810 0.991 1.00 0.00 H new ATOM 0 HA ALA A 100 -11.594 5.542 -1.806 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -13.813 4.454 -1.749 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -12.752 3.856 -0.452 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -14.042 5.024 -0.079 1.00 0.00 H new ATOM 1606 N GLN A 101 -13.409 8.030 -0.823 1.00 0.00 N ATOM 1607 CA GLN A 101 -14.121 9.223 -1.263 1.00 0.00 C ATOM 1608 C GLN A 101 -13.162 10.231 -1.888 1.00 0.00 C ATOM 1609 O GLN A 101 -13.521 11.388 -2.113 1.00 0.00 O ATOM 1610 CB GLN A 101 -14.859 9.865 -0.086 1.00 0.00 C ATOM 1611 CG GLN A 101 -16.273 9.341 0.104 1.00 0.00 C ATOM 1612 CD GLN A 101 -17.289 10.079 -0.744 1.00 0.00 C ATOM 1613 OE1 GLN A 101 -17.316 11.310 -0.770 1.00 0.00 O ATOM 1614 NE2 GLN A 101 -18.132 9.330 -1.445 1.00 0.00 N ATOM 0 H GLN A 101 -13.191 8.012 0.173 1.00 0.00 H new ATOM 0 HA GLN A 101 -14.847 8.924 -2.019 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -14.290 9.691 0.827 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -14.897 10.944 -0.237 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -16.300 8.280 -0.145 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -16.550 9.428 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -18.074 8.313 -1.394 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -18.837 9.772 -2.035 1.00 0.00 H new ATOM 1623 N CYS A 102 -11.942 9.785 -2.165 1.00 0.00 N ATOM 1624 CA CYS A 102 -10.930 10.649 -2.763 1.00 0.00 C ATOM 1625 C CYS A 102 -10.745 11.920 -1.941 1.00 0.00 C ATOM 1626 O CYS A 102 -10.712 13.024 -2.484 1.00 0.00 O ATOM 1627 CB CYS A 102 -11.320 11.008 -4.198 1.00 0.00 C ATOM 1628 SG CYS A 102 -11.572 9.578 -5.275 1.00 0.00 S ATOM 0 H CYS A 102 -11.629 8.831 -1.985 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.985 10.106 -2.775 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -12.236 11.599 -4.177 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -10.542 11.640 -4.627 1.00 0.00 H new ATOM 0 HG CYS A 102 -10.993 8.536 -4.756 1.00 0.00 H new ATOM 1634 N ALA A 103 -10.625 11.756 -0.627 1.00 0.00 N ATOM 1635 CA ALA A 103 -10.442 12.889 0.271 1.00 0.00 C ATOM 1636 C ALA A 103 -8.972 13.075 0.629 1.00 0.00 C ATOM 1637 O ALA A 103 -8.323 12.181 1.173 1.00 0.00 O ATOM 1638 CB ALA A 103 -11.275 12.704 1.531 1.00 0.00 C ATOM 0 H ALA A 103 -10.651 10.849 -0.161 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.779 13.788 -0.246 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -11.128 13.558 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -12.329 12.629 1.263 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.965 11.792 2.041 1.00 0.00 H new ATOM 1644 N PRO A 104 -8.431 14.262 0.316 1.00 0.00 N ATOM 1645 CA PRO A 104 -7.030 14.592 0.596 1.00 0.00 C ATOM 1646 C PRO A 104 -6.759 14.751 2.088 1.00 0.00 C ATOM 1647 O PRO A 104 -7.648 15.118 2.855 1.00 0.00 O ATOM 1648 CB PRO A 104 -6.828 15.925 -0.129 1.00 0.00 C ATOM 1649 CG PRO A 104 -8.189 16.526 -0.202 1.00 0.00 C ATOM 1650 CD PRO A 104 -9.145 15.373 -0.334 1.00 0.00 C ATOM 0 HA PRO A 104 -6.352 13.805 0.266 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -6.139 16.571 0.415 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -6.407 15.775 -1.123 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -8.405 17.112 0.691 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -8.272 17.201 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -10.096 15.581 0.156 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -9.367 15.152 -1.378 1.00 0.00 H new ATOM 1658 N GLY A 105 -5.524 14.472 2.494 1.00 0.00 N ATOM 1659 CA GLY A 105 -5.158 14.590 3.893 1.00 0.00 C ATOM 1660 C GLY A 105 -5.682 13.439 4.729 1.00 0.00 C ATOM 1661 O GLY A 105 -5.708 13.516 5.957 1.00 0.00 O ATOM 0 H GLY A 105 -4.770 14.166 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.072 14.632 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -5.546 15.529 4.289 1.00 0.00 H new ATOM 1665 N VAL A 106 -6.102 12.369 4.062 1.00 0.00 N ATOM 1666 CA VAL A 106 -6.629 11.197 4.751 1.00 0.00 C ATOM 1667 C VAL A 106 -5.783 9.962 4.460 1.00 0.00 C ATOM 1668 O VAL A 106 -5.141 9.411 5.354 1.00 0.00 O ATOM 1669 CB VAL A 106 -8.087 10.914 4.343 1.00 0.00 C ATOM 1670 CG1 VAL A 106 -8.636 9.724 5.115 1.00 0.00 C ATOM 1671 CG2 VAL A 106 -8.950 12.147 4.564 1.00 0.00 C ATOM 0 H VAL A 106 -6.088 12.289 3.045 1.00 0.00 H new ATOM 0 HA VAL A 106 -6.594 11.415 5.818 1.00 0.00 H new ATOM 0 HB VAL A 106 -8.108 10.669 3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -9.667 9.539 4.814 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -8.032 8.842 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -8.603 9.937 6.183 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.977 11.930 4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.925 12.425 5.618 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.568 12.971 3.962 1.00 0.00 H new ATOM 1681 N VAL A 107 -5.786 9.533 3.202 1.00 0.00 N ATOM 1682 CA VAL A 107 -5.017 8.363 2.792 1.00 0.00 C ATOM 1683 C VAL A 107 -3.541 8.528 3.134 1.00 0.00 C ATOM 1684 O VAL A 107 -2.864 7.563 3.487 1.00 0.00 O ATOM 1685 CB VAL A 107 -5.156 8.103 1.280 1.00 0.00 C ATOM 1686 CG1 VAL A 107 -5.042 9.404 0.501 1.00 0.00 C ATOM 1687 CG2 VAL A 107 -4.111 7.100 0.815 1.00 0.00 C ATOM 0 H VAL A 107 -6.312 9.977 2.449 1.00 0.00 H new ATOM 0 HA VAL A 107 -5.420 7.511 3.339 1.00 0.00 H new ATOM 0 HB VAL A 107 -6.143 7.680 1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -5.143 9.200 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -5.831 10.087 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -4.070 9.859 0.693 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.223 6.928 -0.255 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -3.114 7.493 1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -4.246 6.160 1.350 1.00 0.00 H new ATOM 1697 N GLU A 108 -3.048 9.758 3.029 1.00 0.00 N ATOM 1698 CA GLU A 108 -1.651 10.049 3.327 1.00 0.00 C ATOM 1699 C GLU A 108 -1.316 9.684 4.771 1.00 0.00 C ATOM 1700 O GLU A 108 -0.243 9.148 5.055 1.00 0.00 O ATOM 1701 CB GLU A 108 -1.351 11.529 3.082 1.00 0.00 C ATOM 1702 CG GLU A 108 -0.899 11.831 1.663 1.00 0.00 C ATOM 1703 CD GLU A 108 -2.058 12.147 0.736 1.00 0.00 C ATOM 1704 OE1 GLU A 108 -3.031 12.778 1.198 1.00 0.00 O ATOM 1705 OE2 GLU A 108 -1.991 11.761 -0.450 1.00 0.00 O ATOM 0 H GLU A 108 -3.595 10.569 2.740 1.00 0.00 H new ATOM 0 HA GLU A 108 -1.032 9.446 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -2.244 12.114 3.302 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.578 11.854 3.778 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -0.209 12.675 1.677 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -0.348 10.976 1.271 1.00 0.00 H new ATOM 1712 N LEU A 109 -2.240 9.978 5.679 1.00 0.00 N ATOM 1713 CA LEU A 109 -2.043 9.681 7.094 1.00 0.00 C ATOM 1714 C LEU A 109 -1.662 8.218 7.296 1.00 0.00 C ATOM 1715 O LEU A 109 -1.089 7.851 8.322 1.00 0.00 O ATOM 1716 CB LEU A 109 -3.314 10.002 7.883 1.00 0.00 C ATOM 1717 CG LEU A 109 -3.680 11.483 7.992 1.00 0.00 C ATOM 1718 CD1 LEU A 109 -5.101 11.645 8.509 1.00 0.00 C ATOM 1719 CD2 LEU A 109 -2.696 12.211 8.895 1.00 0.00 C ATOM 0 H LEU A 109 -3.132 10.421 5.461 1.00 0.00 H new ATOM 0 HA LEU A 109 -1.227 10.303 7.461 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.148 9.475 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -3.204 9.600 8.890 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.624 11.925 6.997 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -5.344 12.705 8.580 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -5.795 11.159 7.823 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -5.184 11.187 9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.972 13.263 8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.719 11.767 9.890 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.691 12.125 8.482 1.00 0.00 H new ATOM 1731 N VAL A 110 -1.981 7.387 6.309 1.00 0.00 N ATOM 1732 CA VAL A 110 -1.668 5.964 6.376 1.00 0.00 C ATOM 1733 C VAL A 110 -0.422 5.636 5.562 1.00 0.00 C ATOM 1734 O VAL A 110 0.254 4.638 5.815 1.00 0.00 O ATOM 1735 CB VAL A 110 -2.842 5.107 5.865 1.00 0.00 C ATOM 1736 CG1 VAL A 110 -2.473 3.632 5.883 1.00 0.00 C ATOM 1737 CG2 VAL A 110 -4.089 5.363 6.697 1.00 0.00 C ATOM 0 H VAL A 110 -2.456 7.674 5.453 1.00 0.00 H new ATOM 0 HA VAL A 110 -1.485 5.729 7.425 1.00 0.00 H new ATOM 0 HB VAL A 110 -3.056 5.391 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -3.314 3.042 5.519 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -1.608 3.465 5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -2.232 3.330 6.902 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.909 4.750 6.322 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.891 5.107 7.738 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -4.363 6.416 6.628 1.00 0.00 H new ATOM 1747 N LEU A 111 -0.121 6.483 4.583 1.00 0.00 N ATOM 1748 CA LEU A 111 1.046 6.284 3.731 1.00 0.00 C ATOM 1749 C LEU A 111 2.333 6.587 4.491 1.00 0.00 C ATOM 1750 O LEU A 111 3.328 5.874 4.355 1.00 0.00 O ATOM 1751 CB LEU A 111 0.952 7.172 2.489 1.00 0.00 C ATOM 1752 CG LEU A 111 -0.120 6.788 1.468 1.00 0.00 C ATOM 1753 CD1 LEU A 111 -0.205 7.831 0.365 1.00 0.00 C ATOM 1754 CD2 LEU A 111 0.169 5.413 0.884 1.00 0.00 C ATOM 0 H LEU A 111 -0.669 7.314 4.360 1.00 0.00 H new ATOM 0 HA LEU A 111 1.066 5.239 3.422 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.767 8.196 2.813 1.00 0.00 H new ATOM 0 HB3 LEU A 111 1.920 7.166 1.989 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.083 6.749 1.977 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.973 7.541 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.460 8.798 0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.757 7.903 -0.143 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -0.604 5.156 0.159 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.140 5.424 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.177 4.672 1.684 1.00 0.00 H new ATOM 1766 N ILE A 112 2.306 7.647 5.292 1.00 0.00 N ATOM 1767 CA ILE A 112 3.469 8.042 6.076 1.00 0.00 C ATOM 1768 C ILE A 112 3.991 6.877 6.911 1.00 0.00 C ATOM 1769 O ILE A 112 5.147 6.469 6.798 1.00 0.00 O ATOM 1770 CB ILE A 112 3.145 9.223 7.009 1.00 0.00 C ATOM 1771 CG1 ILE A 112 3.419 10.551 6.300 1.00 0.00 C ATOM 1772 CG2 ILE A 112 3.958 9.124 8.291 1.00 0.00 C ATOM 1773 CD1 ILE A 112 2.872 11.754 7.037 1.00 0.00 C ATOM 0 H ILE A 112 1.491 8.248 5.415 1.00 0.00 H new ATOM 0 HA ILE A 112 4.237 8.351 5.367 1.00 0.00 H new ATOM 0 HB ILE A 112 2.087 9.182 7.269 1.00 0.00 H new ATOM 0 HG12 ILE A 112 4.495 10.671 6.174 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.983 10.517 5.302 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.718 9.966 8.940 1.00 0.00 H new ATOM 0 HG22 ILE A 112 3.719 8.192 8.802 1.00 0.00 H new ATOM 0 HG23 ILE A 112 5.021 9.143 8.050 1.00 0.00 H new ATOM 0 HD11 ILE A 112 3.103 12.660 6.477 1.00 0.00 H new ATOM 0 HD12 ILE A 112 1.791 11.657 7.140 1.00 0.00 H new ATOM 0 HD13 ILE A 112 3.327 11.813 8.026 1.00 0.00 H new ATOM 1785 N PRO A 113 3.118 6.327 7.768 1.00 0.00 N ATOM 1786 CA PRO A 113 3.467 5.200 8.638 1.00 0.00 C ATOM 1787 C PRO A 113 3.665 3.905 7.857 1.00 0.00 C ATOM 1788 O PRO A 113 4.525 3.090 8.195 1.00 0.00 O ATOM 1789 CB PRO A 113 2.257 5.082 9.569 1.00 0.00 C ATOM 1790 CG PRO A 113 1.127 5.669 8.797 1.00 0.00 C ATOM 1791 CD PRO A 113 1.724 6.763 7.955 1.00 0.00 C ATOM 0 HA PRO A 113 4.410 5.365 9.160 1.00 0.00 H new ATOM 0 HB2 PRO A 113 2.059 4.043 9.832 1.00 0.00 H new ATOM 0 HB3 PRO A 113 2.421 5.621 10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 113 0.647 4.915 8.174 1.00 0.00 H new ATOM 0 HG3 PRO A 113 0.362 6.064 9.465 1.00 0.00 H new ATOM 0 HD2 PRO A 113 1.204 6.866 7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 113 1.669 7.730 8.455 1.00 0.00 H new ATOM 1799 N LEU A 114 2.867 3.722 6.811 1.00 0.00 N ATOM 1800 CA LEU A 114 2.955 2.526 5.981 1.00 0.00 C ATOM 1801 C LEU A 114 4.402 2.237 5.594 1.00 0.00 C ATOM 1802 O LEU A 114 4.951 1.191 5.941 1.00 0.00 O ATOM 1803 CB LEU A 114 2.102 2.690 4.722 1.00 0.00 C ATOM 1804 CG LEU A 114 2.220 1.577 3.681 1.00 0.00 C ATOM 1805 CD1 LEU A 114 1.209 0.476 3.960 1.00 0.00 C ATOM 1806 CD2 LEU A 114 2.029 2.136 2.278 1.00 0.00 C ATOM 0 H LEU A 114 2.151 4.387 6.517 1.00 0.00 H new ATOM 0 HA LEU A 114 2.578 1.684 6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 114 1.057 2.769 5.023 1.00 0.00 H new ATOM 0 HB3 LEU A 114 2.369 3.634 4.247 1.00 0.00 H new ATOM 0 HG LEU A 114 3.220 1.149 3.747 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.308 -0.308 3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 114 1.392 0.056 4.949 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.201 0.889 3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.116 1.329 1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.042 2.591 2.199 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.792 2.888 2.079 1.00 0.00 H new ATOM 1818 N ARG A 115 5.015 3.172 4.876 1.00 0.00 N ATOM 1819 CA ARG A 115 6.399 3.019 4.443 1.00 0.00 C ATOM 1820 C ARG A 115 7.315 2.758 5.634 1.00 0.00 C ATOM 1821 O ARG A 115 8.193 1.898 5.577 1.00 0.00 O ATOM 1822 CB ARG A 115 6.862 4.269 3.692 1.00 0.00 C ATOM 1823 CG ARG A 115 6.808 5.537 4.529 1.00 0.00 C ATOM 1824 CD ARG A 115 7.317 6.740 3.751 1.00 0.00 C ATOM 1825 NE ARG A 115 7.396 7.937 4.584 1.00 0.00 N ATOM 1826 CZ ARG A 115 8.393 8.181 5.427 1.00 0.00 C ATOM 1827 NH1 ARG A 115 9.391 7.316 5.548 1.00 0.00 N ATOM 1828 NH2 ARG A 115 8.394 9.293 6.151 1.00 0.00 N ATOM 0 H ARG A 115 4.575 4.044 4.582 1.00 0.00 H new ATOM 0 HA ARG A 115 6.451 2.161 3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 115 7.884 4.116 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 115 6.241 4.402 2.806 1.00 0.00 H new ATOM 0 HG2 ARG A 115 5.783 5.718 4.851 1.00 0.00 H new ATOM 0 HG3 ARG A 115 7.407 5.405 5.430 1.00 0.00 H new ATOM 0 HD2 ARG A 115 8.303 6.517 3.343 1.00 0.00 H new ATOM 0 HD3 ARG A 115 6.657 6.930 2.905 1.00 0.00 H new ATOM 0 HE ARG A 115 6.644 8.623 4.515 1.00 0.00 H new ATOM 0 HH11 ARG A 115 9.394 6.460 4.993 1.00 0.00 H new ATOM 0 HH12 ARG A 115 10.155 7.506 6.196 1.00 0.00 H new ATOM 0 HH21 ARG A 115 7.629 9.961 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 115 9.160 9.480 6.798 1.00 0.00 H new ATOM 1842 N GLN A 116 7.105 3.508 6.711 1.00 0.00 N ATOM 1843 CA GLN A 116 7.913 3.358 7.915 1.00 0.00 C ATOM 1844 C GLN A 116 7.930 1.907 8.383 1.00 0.00 C ATOM 1845 O GLN A 116 8.973 1.383 8.776 1.00 0.00 O ATOM 1846 CB GLN A 116 7.378 4.259 9.030 1.00 0.00 C ATOM 1847 CG GLN A 116 7.636 5.739 8.793 1.00 0.00 C ATOM 1848 CD GLN A 116 9.087 6.120 9.010 1.00 0.00 C ATOM 1849 OE1 GLN A 116 9.917 5.279 9.357 1.00 0.00 O ATOM 1850 NE2 GLN A 116 9.401 7.394 8.806 1.00 0.00 N ATOM 0 H GLN A 116 6.382 4.225 6.774 1.00 0.00 H new ATOM 0 HA GLN A 116 8.934 3.655 7.675 1.00 0.00 H new ATOM 0 HB2 GLN A 116 6.305 4.098 9.133 1.00 0.00 H new ATOM 0 HB3 GLN A 116 7.836 3.965 9.974 1.00 0.00 H new ATOM 0 HG2 GLN A 116 7.345 5.996 7.774 1.00 0.00 H new ATOM 0 HG3 GLN A 116 7.006 6.325 9.462 1.00 0.00 H new ATOM 0 HE21 GLN A 116 8.681 8.057 8.519 1.00 0.00 H new ATOM 0 HE22 GLN A 116 10.362 7.710 8.936 1.00 0.00 H new ATOM 1859 N ARG A 117 6.769 1.262 8.338 1.00 0.00 N ATOM 1860 CA ARG A 117 6.651 -0.129 8.758 1.00 0.00 C ATOM 1861 C ARG A 117 7.393 -1.052 7.797 1.00 0.00 C ATOM 1862 O ARG A 117 8.257 -1.829 8.207 1.00 0.00 O ATOM 1863 CB ARG A 117 5.178 -0.536 8.839 1.00 0.00 C ATOM 1864 CG ARG A 117 4.472 -0.025 10.084 1.00 0.00 C ATOM 1865 CD ARG A 117 4.784 -0.889 11.296 1.00 0.00 C ATOM 1866 NE ARG A 117 4.390 -0.244 12.545 1.00 0.00 N ATOM 1867 CZ ARG A 117 5.086 0.729 13.122 1.00 0.00 C ATOM 1868 NH1 ARG A 117 6.207 1.166 12.565 1.00 0.00 N ATOM 1869 NH2 ARG A 117 4.662 1.266 14.259 1.00 0.00 N ATOM 0 H ARG A 117 5.897 1.681 8.015 1.00 0.00 H new ATOM 0 HA ARG A 117 7.102 -0.224 9.746 1.00 0.00 H new ATOM 0 HB2 ARG A 117 4.658 -0.162 7.957 1.00 0.00 H new ATOM 0 HB3 ARG A 117 5.108 -1.623 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 117 4.777 1.003 10.280 1.00 0.00 H new ATOM 0 HG3 ARG A 117 3.396 -0.011 9.913 1.00 0.00 H new ATOM 0 HD2 ARG A 117 4.267 -1.844 11.203 1.00 0.00 H new ATOM 0 HD3 ARG A 117 5.852 -1.106 11.321 1.00 0.00 H new ATOM 0 HE ARG A 117 3.533 -0.558 13.000 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.536 0.755 11.692 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.740 1.913 13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 117 3.801 0.932 14.691 1.00 0.00 H new ATOM 0 HH22 ARG A 117 5.198 2.013 14.701 1.00 0.00 H new ATOM 1883 N LEU A 118 7.050 -0.964 6.517 1.00 0.00 N ATOM 1884 CA LEU A 118 7.684 -1.792 5.496 1.00 0.00 C ATOM 1885 C LEU A 118 9.204 -1.720 5.603 1.00 0.00 C ATOM 1886 O LEU A 118 9.893 -2.729 5.461 1.00 0.00 O ATOM 1887 CB LEU A 118 7.237 -1.348 4.102 1.00 0.00 C ATOM 1888 CG LEU A 118 5.760 -1.561 3.771 1.00 0.00 C ATOM 1889 CD1 LEU A 118 5.276 -0.508 2.785 1.00 0.00 C ATOM 1890 CD2 LEU A 118 5.534 -2.959 3.214 1.00 0.00 C ATOM 0 H LEU A 118 6.337 -0.328 6.161 1.00 0.00 H new ATOM 0 HA LEU A 118 7.376 -2.825 5.658 1.00 0.00 H new ATOM 0 HB2 LEU A 118 7.464 -0.288 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 118 7.835 -1.882 3.363 1.00 0.00 H new ATOM 0 HG LEU A 118 5.184 -1.460 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 118 4.222 -0.676 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 118 5.401 0.483 3.221 1.00 0.00 H new ATOM 0 HD13 LEU A 118 5.857 -0.576 1.866 1.00 0.00 H new ATOM 0 HD21 LEU A 118 4.477 -3.093 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 118 6.122 -3.088 2.305 1.00 0.00 H new ATOM 0 HD23 LEU A 118 5.841 -3.699 3.953 1.00 0.00 H new ATOM 1902 N GLU A 119 9.718 -0.520 5.855 1.00 0.00 N ATOM 1903 CA GLU A 119 11.157 -0.318 5.982 1.00 0.00 C ATOM 1904 C GLU A 119 11.745 -1.246 7.041 1.00 0.00 C ATOM 1905 O GLU A 119 12.710 -1.964 6.783 1.00 0.00 O ATOM 1906 CB GLU A 119 11.460 1.139 6.339 1.00 0.00 C ATOM 1907 CG GLU A 119 11.357 2.089 5.158 1.00 0.00 C ATOM 1908 CD GLU A 119 12.262 3.297 5.301 1.00 0.00 C ATOM 1909 OE1 GLU A 119 12.415 3.792 6.437 1.00 0.00 O ATOM 1910 OE2 GLU A 119 12.817 3.748 4.277 1.00 0.00 O ATOM 0 H GLU A 119 9.160 0.326 5.975 1.00 0.00 H new ATOM 0 HA GLU A 119 11.618 -0.553 5.022 1.00 0.00 H new ATOM 0 HB2 GLU A 119 10.770 1.465 7.118 1.00 0.00 H new ATOM 0 HB3 GLU A 119 12.465 1.200 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 119 11.613 1.554 4.243 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.325 2.423 5.054 1.00 0.00 H new ATOM 1917 N GLU A 120 11.156 -1.223 8.233 1.00 0.00 N ATOM 1918 CA GLU A 120 11.623 -2.061 9.331 1.00 0.00 C ATOM 1919 C GLU A 120 11.477 -3.540 8.987 1.00 0.00 C ATOM 1920 O GLU A 120 12.417 -4.320 9.140 1.00 0.00 O ATOM 1921 CB GLU A 120 10.845 -1.744 10.610 1.00 0.00 C ATOM 1922 CG GLU A 120 11.616 -2.051 11.883 1.00 0.00 C ATOM 1923 CD GLU A 120 12.571 -0.939 12.269 1.00 0.00 C ATOM 1924 OE1 GLU A 120 13.188 -0.345 11.360 1.00 0.00 O ATOM 1925 OE2 GLU A 120 12.701 -0.662 13.480 1.00 0.00 O ATOM 0 H GLU A 120 10.356 -0.634 8.462 1.00 0.00 H new ATOM 0 HA GLU A 120 12.679 -1.847 9.494 1.00 0.00 H new ATOM 0 HB2 GLU A 120 10.571 -0.689 10.607 1.00 0.00 H new ATOM 0 HB3 GLU A 120 9.916 -2.314 10.611 1.00 0.00 H new ATOM 0 HG2 GLU A 120 10.912 -2.219 12.698 1.00 0.00 H new ATOM 0 HG3 GLU A 120 12.177 -2.976 11.750 1.00 0.00 H new ATOM 1932 N ARG A 121 10.291 -3.919 8.521 1.00 0.00 N ATOM 1933 CA ARG A 121 10.020 -5.305 8.157 1.00 0.00 C ATOM 1934 C ARG A 121 11.011 -5.794 7.105 1.00 0.00 C ATOM 1935 O ARG A 121 11.431 -6.950 7.126 1.00 0.00 O ATOM 1936 CB ARG A 121 8.590 -5.446 7.631 1.00 0.00 C ATOM 1937 CG ARG A 121 7.564 -5.712 8.720 1.00 0.00 C ATOM 1938 CD ARG A 121 7.413 -7.201 8.991 1.00 0.00 C ATOM 1939 NE ARG A 121 8.373 -7.676 9.984 1.00 0.00 N ATOM 1940 CZ ARG A 121 8.373 -7.284 11.253 1.00 0.00 C ATOM 1941 NH1 ARG A 121 7.467 -6.416 11.682 1.00 0.00 N ATOM 1942 NH2 ARG A 121 9.279 -7.762 12.097 1.00 0.00 N ATOM 0 H ARG A 121 9.503 -3.286 8.387 1.00 0.00 H new ATOM 0 HA ARG A 121 10.133 -5.918 9.051 1.00 0.00 H new ATOM 0 HB2 ARG A 121 8.316 -4.534 7.100 1.00 0.00 H new ATOM 0 HB3 ARG A 121 8.557 -6.259 6.906 1.00 0.00 H new ATOM 0 HG2 ARG A 121 7.864 -5.203 9.636 1.00 0.00 H new ATOM 0 HG3 ARG A 121 6.601 -5.295 8.424 1.00 0.00 H new ATOM 0 HD2 ARG A 121 6.400 -7.405 9.339 1.00 0.00 H new ATOM 0 HD3 ARG A 121 7.549 -7.754 8.062 1.00 0.00 H new ATOM 0 HE ARG A 121 9.083 -8.346 9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 121 6.768 -6.048 11.037 1.00 0.00 H new ATOM 0 HH12 ARG A 121 7.469 -6.117 12.657 1.00 0.00 H new ATOM 0 HH21 ARG A 121 9.976 -8.431 11.771 1.00 0.00 H new ATOM 0 HH22 ARG A 121 9.278 -7.460 13.071 1.00 0.00 H new ATOM 1956 N GLN A 122 11.379 -4.906 6.188 1.00 0.00 N ATOM 1957 CA GLN A 122 12.320 -5.248 5.127 1.00 0.00 C ATOM 1958 C GLN A 122 13.476 -6.079 5.673 1.00 0.00 C ATOM 1959 O GLN A 122 14.049 -6.905 4.963 1.00 0.00 O ATOM 1960 CB GLN A 122 12.857 -3.979 4.463 1.00 0.00 C ATOM 1961 CG GLN A 122 13.558 -4.235 3.139 1.00 0.00 C ATOM 1962 CD GLN A 122 14.487 -3.105 2.743 1.00 0.00 C ATOM 1963 OE1 GLN A 122 14.522 -2.058 3.390 1.00 0.00 O ATOM 1964 NE2 GLN A 122 15.247 -3.311 1.674 1.00 0.00 N ATOM 0 H GLN A 122 11.040 -3.944 6.158 1.00 0.00 H new ATOM 0 HA GLN A 122 11.789 -5.841 4.382 1.00 0.00 H new ATOM 0 HB2 GLN A 122 12.031 -3.287 4.299 1.00 0.00 H new ATOM 0 HB3 GLN A 122 13.553 -3.489 5.144 1.00 0.00 H new ATOM 0 HG2 GLN A 122 14.128 -5.162 3.207 1.00 0.00 H new ATOM 0 HG3 GLN A 122 12.811 -4.377 2.358 1.00 0.00 H new ATOM 0 HE21 GLN A 122 15.186 -4.194 1.167 1.00 0.00 H new ATOM 0 HE22 GLN A 122 15.892 -2.586 1.360 1.00 0.00 H new